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Substance Name: 1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-
RN: 25812-76-4
InChIKey: YQMPWJBMMZNZRK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H11-N3-S

Molecular Weight

  • 205.284
 
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Names and Synonyms

Synonyms

  • 4-Methyl-3-(methylthio)-5-phenyl-1H-1,2,4-triazole
  • 5-26-03-00266 (Beilstein Handbook Reference)
  • BRN 0168782

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 25812-76-4

System Generated Number

  • 0025812764

Structure Descriptors

InChI

1S/C10H11N3S/c1-13-9(11-12-10(13)14-2)8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey

YQMPWJBMMZNZRK-UHFFFAOYSA-N

Smiles

n1nc(n(c1c1ccccc1)C)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 37, Pg. 125, 1994.