Phenyl-1,2,4-triazoles

Description:

Organic compounds containing a 1,2,4-triazole substituted by a phenyl group.

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  1. [(5-{[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)thio]acetic acid
    CAS: 438481-33-5 PubChem CID: 1587660
    Out of Stock Item #: A1002109
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    IUPAC Name
    2-[[5-[(4-amino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
    SMILES
    C1CCC2=C(C1)C3=C(N=C(N=C3S2)SCC4=NN=C(N4C5=CC=CC=C5)SCC(=O)O)N
    InChIKey
    SPRISILOMIVCIR-UHFFFAOYSA-N
    InChI
    1S/C21H20N6O2S3/c22-18-17-13-8-4-5-9-14(13)32-19(17)24-20(23-18)30-10-15-25-26-21(31-11-16(28)29)27(15)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,28,29)(show more
  2. 5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-3-hexyl-1,2,4-triazole
    CAS: 611207-11-5 EC Number: 804-240-4 PubChem CID: 10136173
    Out of Stock Item #: C1023920
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    IUPAC Name
    5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-hexyl-1,2,4-triazole
    SMILES
    CCCCCCC1=NN(C(=N1)C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3)Cl)Cl
    InChIKey
    USJFDADYVUDVAX-UHFFFAOYSA-N
    InChI
    1S/C20H20Cl3N3/c1-2-3-4-5-6-19-24-20(14-7-9-15(21)10-8-14)26(25-19)18-12-11-16(22)13-17(18)23/h7-13H,2-6H2,1H3
  3. Carfentrazone-ethyl
    CAS: 128639-02-1 EC Number: 603-291-8 PubChem CID: 86222 Formula: C15H14Cl2F3N3O3 Molecular Weight: 412.19
    Out of Stock Item #: C769152
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    IUPAC Name
    ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate
    SMILES
    CCOC(=O)C(CC1=CC(=C(C=C1Cl)F)N2C(=O)N(C(=N2)C)C(F)F)Cl
    InChIKey
    MLKCGVHIFJBRCD-UHFFFAOYSA-N
    InChI
    1S/C15H14Cl2F3N3O3/c1-3-26-13(24)10(17)4-8-5-12(11(18)6-9(8)16)23-15(25)22(14(19)20)7(2)21-23/h5-6,10,14H,3-4H2,1-2H3
    Synonyms
    Ethyl 2-chloro-3-{2-chloro-5-[4-(difluoromethyl)-4,5-dihydro-3-methyl-5-oxo-1H-1,2,4-triazol-1-yl]-4-fluoro-phenyl}pr...
  4. 4-(4-(Dimethylamino)phenyl)-1,2,4-triazolidine-3,5-dione
    CAS: 883455-55-8 PubChem CID: 23583627 Formula: C10H12N4O2 Molecular Weight: 220.23
    Out of Stock Item #: P769070
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    IUPAC Name
    4-[4-(dimethylamino)phenyl]-1,2,4-triazolidine-3,5-dione
    SMILES
    CN(C)C1=CC=C(C=C1)N2C(=O)NNC2=O
    InChIKey
    MMIRDFLZTSMUQF-UHFFFAOYSA-N
    InChI
    1S/C10H12N4O2/c1-13(2)7-3-5-8(6-4-7)14-9(15)11-12-10(14)16/h3-6H,1-2H3,(H,11,15)(H,12,16)
  5. 4-(1H-1,2,4-Triazol-1-yl)benzoic acid
    CAS: 162848-16-0 Formula: C9H7N3O2 Molecular Weight: 189.18
    In Stock Item #: H752514
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    IUPAC Name
    4-(1,2,4-triazol-1-yl)benzoic acid
    SMILES
    C1=CC(=CC=C1C(=O)O)N2C=NC=N2
    InChIKey
    FOMQQGKCPYKKHQ-UHFFFAOYSA-N
    InChI
    1S/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-6-10-5-11-12/h1-6H,(H,13,14)
  6. Methyl 3-(1,2,4-triazol-1-yl)benzoate
    CAS: 167626-27-9 Formula: C10H9N3O2 Molecular Weight: 203.20
    In Stock Item #: M730534
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    IUPAC Name
    methyl 3-(1,2,4-triazol-1-yl)benzoate
    SMILES
    COC(=O)C1=CC(=CC=C1)N2C=NC=N2
    InChIKey
    NKGYSGGAEUCELQ-UHFFFAOYSA-N
    InChI
    1S/C10H9N3O2/c1-15-10(14)8-3-2-4-9(5-8)13-7-11-6-12-13/h2-7H,1H3
    Synonyms
    Methyl 3-(1H-1,2,4-triazol-1-yl)benzoate
  7. 5-Amino-4-(4-cyclopropylnaphthalen-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
    CAS: 878671-96-6 Formula: C15H14N4S Molecular Weight: 282.36
    Solid ≥99%
    In Stock Item #: A732819
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    IUPAC Name
    3-amino-4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
    SMILES
    C1CC1C2=CC=C(C3=CC=CC=C23)N4C(=NNC4=S)N
    InChIKey
    VHPOGQZYQNLNNN-UHFFFAOYSA-N
    InChI
    1S/C15H14N4S/c16-14-17-18-15(20)19(14)13-8-7-10(9-5-6-9)11-3-1-2-4-12(11)13/h1-4,7-9H,5-6H2,(H2,16,17)(H,18,20)
    Synonyms
    5-amino-4-(4-cyclopropylnaphthalen-1-yl)-4H-1,2,4-triazole-3-thiol
  8. 5-(2-Chlorophenyl)-4H-1,2,4-triazol-3-amine
    CAS: 54463-89-7 PubChem CID: 5064432 Formula: C8H7ClN4 Molecular Weight: 194.62
    Out of Stock Item #: H709446
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    Technical Identifiers
    IUPAC Name
    5-(2-chlorophenyl)-1H-1,2,4-triazol-3-amine
    SMILES
    C1=CC=C(C(=C1)C2=NC(=NN2)N)Cl
    InChIKey
    LVSNWMVOAUEVKU-UHFFFAOYSA-N
    InChI
    1S/C8H7ClN4/c9-6-4-2-1-3-5(6)7-11-8(10)13-12-7/h1-4H,(H3,10,11,12,13)
  9. 5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
    CAS: 29527-27-3 EC Number: 859-975-3 Formula: C9H8ClN3S Molecular Weight: 225.70
    Solid ≥97%
    Out of Stock Item #: M735423
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    IUPAC Name
    3-(4-chlorophenyl)-4-methyl-1H-1,2,4-triazole-5-thione
    SMILES
    CN1C(=NNC1=S)C2=CC=C(C=C2)Cl
    InChIKey
    HAWRMYDVPCGDJW-UHFFFAOYSA-N
    InChI
    1S/C9H8ClN3S/c1-13-8(11-12-9(13)14)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,12,14)
    Synonyms
    5-(p-Chlorophenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
  10. 5-(4-Bromophenyl)-4H-1,2,4-triazol-3-amine
    CAS: 54464-13-0 PubChem CID: 794036 Formula: C8H7BrN4 Molecular Weight: 239.07
    Solid ≥97%
    Out of Stock Item #: H735461
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    Technical Identifiers
    IUPAC Name
    5-(4-bromophenyl)-1H-1,2,4-triazol-3-amine
    SMILES
    C1=CC(=CC=C1C2=NC(=NN2)N)Br
    InChIKey
    VXTCEROZEXTJAB-UHFFFAOYSA-N
    InChI
    1S/C8H7BrN4/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H,(H3,10,11,12,13)
  11. 5-(4-Fluorophenyl)-4H-1,2,4-triazol-3-amine
    CAS: 168893-35-4 EC Number: 818-323-8 Formula: C8H7FN4 Molecular Weight: 178.17
    Solid ≥95%
    Out of Stock Item #: H735578
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    Technical Identifiers
    IUPAC Name
    5-(4-fluorophenyl)-1H-1,2,4-triazol-3-amine
    SMILES
    C1=CC(=CC=C1C2=NC(=NN2)N)F
    InChIKey
    NPXAOQLRLGISLR-UHFFFAOYSA-N
    InChI
    1S/C8H7FN4/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H,(H3,10,11,12,13)
  12. 2-(1,2,4-Triazol-1-yl)aniline
    CAS: 39876-84-1 PubChem CID: 10749486 Formula: C8H8N4 Molecular Weight: 160.18
    Out of Stock Item #: A725003
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    Technical Identifiers
    IUPAC Name
    2-(1,2,4-triazol-1-yl)aniline
    SMILES
    C1=CC=C(C(=C1)N)N2C=NC=N2
    InChIKey
    ZZBULULHFMWHMB-UHFFFAOYSA-N
    InChI
    1S/C8H8N4/c9-7-3-1-2-4-8(7)12-6-10-5-11-12/h1-6H,9H2
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