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Substance Name: 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-phenyl-5-(2-propenylthio)-
RN: 81518-31-2
InChIKey: KDPVCRXZJIMMRT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H14-Cl-N3-S

Molecular Weight

  • 327.8376
 
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Names and Synonyms

Synonyms

  • 3-(2-Chlorophenyl)-4-phenyl-5-(2-propenylthio)-4H-1,2,4-triazole
  • BRN 5089081

Systematic Name

  • 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-phenyl-5-(2-propenylthio)-

Registry Numbers

CAS Registry Number

  • 81518-31-2

System Generated Number

  • 0081518312

Structure Descriptors

InChI

1S/C17H14ClN3S/c1-2-12-22-17-20-19-16(14-10-6-7-11-15(14)18)21(17)13-8-4-3-5-9-13/h2-11H,1,12H2

InChIKey

KDPVCRXZJIMMRT-UHFFFAOYSA-N

Smiles

C=CCSc1nnc(n1c2ccccc2)c3ccccc3Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 20, Pg. 1017, 1981.