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Substance Name: Acetamide, N-(4-nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)-
RN: 113518-53-9
InChIKey: SNMYANKXZKSIDG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H16-N6-O3-S

Molecular Weight

  • 432.4624
 
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Names and Synonyms

Synonyms

  • Acetamide, N-(4-nitrophenyl)-2-((4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl)thio)-
  • BRN 5174265
  • N-(4-Nitrophenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)acetamide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 113518-53-9

System Generated Number

  • 0113518539

Structure Descriptors

InChI

1S/C21H16N6O3S/c28-19(23-16-6-8-18(9-7-16)27(29)30)14-31-21-25-24-20(15-10-12-22-13-11-15)26(21)17-4-2-1-3-5-17/h1-13H,14H2,(H,23,28)

InChIKey

SNMYANKXZKSIDG-UHFFFAOYSA-N

Smiles

c1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)[N+](=O)[O-])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.