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Substance Name: 4H-1,2,4-Triazole, 4-methyl-3-(4-methylphenyl)-5-(methylthio)-
RN: 116850-70-5
InChIKey: OJESHGGRADIJFS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-N3-S

Molecular Weight

  • 219.3107
 
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Names and Synonyms

Synonym

  • 4-Methyl-3-(4-methylphenyl)-5-(methylthio)-4H-1,2,4-triazole

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116850-70-5

System Generated Number

  • 0116850705

Structure Descriptors

InChI

1S/C11H13N3S/c1-8-4-6-9(7-5-8)10-12-13-11(15-3)14(10)2/h4-7H,1-3H3

InChIKey

OJESHGGRADIJFS-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)c2nnc(n2C)SC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 37, Pg. 125, 1994.