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Substance Name: Acetamide, N-phenyl-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-
RN: 113518-46-0
InChIKey: DIAXBBNLCLLGBB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H17-N5-O-S

Molecular Weight

  • 387.4653
 
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Names and Synonyms

Synonyms

  • 5-((N-Phenylcarbamyl)methylmercapto)-4-phenyl-3-(4-pyridyl)-1,2,4-triazole
  • Acetamide, N-phenyl-2-((4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl)thio)-
  • BRN 5146693
  • N-Phenyl-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)acetamide

Systematic Name

  • Acetamide, N-phenyl-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-

Registry Numbers

CAS Registry Number

  • 113518-46-0

System Generated Number

  • 0113518460

Structure Descriptors

InChI

1S/C21H17N5OS/c27-19(23-17-7-3-1-4-8-17)15-28-21-25-24-20(16-11-13-22-14-12-16)26(21)18-9-5-2-6-10-18/h1-14H,15H2,(H,23,27)

InChIKey

DIAXBBNLCLLGBB-UHFFFAOYSA-N

Smiles

c1ccc(cc1)NC(=O)CSc2nnc(n2c3ccccc3)c4ccncc4

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. 26, Pg. 290, 1987.