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Substance Name: 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfinyl)-5-phenyl-
RN: 116850-60-3
InChIKey: LXHVERNYCANDQP-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

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116850-60-3

System Generated Number

  • 0116850603

Structure Descriptors

InChI

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

InChIKey

LXHVERNYCANDQP-UHFFFAOYSA-N

Smiles

Cn1c(nnc1S(=O)C)c2ccccc2

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.