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Substance Name: Acetamide, N-(4-methoxyphenyl)-2-((4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl)thio)-
RN: 113518-49-3
InChIKey: XJAYDFFYQVRWNZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H19-N5-O2-S

Molecular Weight

  • 417.4911
 
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Names and Synonyms

Synonyms

  • BRN 5160218
  • N-(4-Methoxyphenyl)-2-((1-phenyl-5-(4-pyridinyl)-1H-1,3,4-triazol-2-yl)thio)acetamide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 113518-49-3

System Generated Number

  • 0113518493

Structure Descriptors

InChI

1S/C22H19N5O2S/c1-29-19-9-7-17(8-10-19)24-20(28)15-30-22-26-25-21(16-11-13-23-14-12-16)27(22)18-5-3-2-4-6-18/h2-14H,15H2,1H3,(H,24,28)

InChIKey

XJAYDFFYQVRWNZ-UHFFFAOYSA-N

Smiles

COc1ccc(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.