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Substance Name: 1H-1,2,4-Triazole, 1-methyl-3-(methylsulfinyl)-5-phenyl-
RN: 154106-13-5
InChIKey: TUASVPSCTYLACT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H11-N3-O-S

Molecular Weight

  • 221.2829
 
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Names and Synonyms

Synonym

  • 1-Methyl-3-(methylsulfinyl)-5-phenyl-1H-1,2,4-triazole

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 154106-13-5

System Generated Number

  • 0154106135

Structure Descriptors

InChI

1S/C10H11N3OS/c1-13-9(8-6-4-3-5-7-8)11-10(12-13)15(2)14/h3-7H,1-2H3

InChIKey

TUASVPSCTYLACT-UHFFFAOYSA-N

Smiles

Cn1c(nc(n1)S(=O)C)c2ccccc2

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.