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Substance Name: 4H-1,2,4-Triazole, 3-(2-chlorophenyl)-5-(methylthio)-4-phenyl-
RN: 81518-29-8
InChIKey: CRFOHGWATXSNIY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H12-Cl-N3-S

Molecular Weight

  • 301.7998
 
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Names and Synonyms

Synonyms

  • 3-(2-Chlorophenyl)-5-(methylthio)-4-phenyl-4H-1,2,4-triazole
  • BRN 5073357

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 81518-29-8

System Generated Number

  • 0081518298

Structure Descriptors

InChI

1S/C15H12ClN3S/c1-20-15-18-17-14(12-9-5-6-10-13(12)16)19(15)11-7-3-2-4-8-11/h2-10H,1H3

InChIKey

CRFOHGWATXSNIY-UHFFFAOYSA-N

Smiles

CSc1nnc(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.