4-(4-Chlorophenyl)-5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

CAS Registry Number®

124998-68-1
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CAS Name

4-(4-Chlorophenyl)-5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

Molecular Formula

C18H18ClN3S

Molecular Mass

343.87

Cite this Page

4-(4-Chlorophenyl)-5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=124998-68-1 (retrieved 2024-04-29) (CAS RN: 124998-68-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H18ClN3S/c1-18(2,3)13-6-4-12(5-7-13)16-20-21-17(23)22(16)15-10-8-14(19)9-11-15/h4-11H,1-3H3,(H,21,23)

InChIKey

InChIKey=XKULROXVGOGMDR-UHFFFAOYSA-N

SMILES

S=C1N(C(=NN1)C2=CC=C(C(C)(C)C)C=C2)C3=CC=C(Cl)C=C3

Canonical SMILES

S=C1NN=C(C=2C=CC(=CC2)C(C)(C)C)N1C3=CC=C(Cl)C=C3

Other Names for this Substance

  • 3H-1,2,4-Triazole-3-thione, 4-(4-chlorophenyl)-5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-
  • 4-(4-Chlorophenyl)-5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
  • 5-(4-tert-Butylphenyl)-4-(4-chlorophenyl)-4H-[1,2,4]triazole-3-thiol

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