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Substance Name: 4H-1,2,4-Triazole, 4-methyl-3-(4-methylphenyl)-5-(methylsulfinyl)-
RN: 116850-71-6
InChIKey: ITHHMPLHGBBWAA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-N3-O-S

Molecular Weight

  • 235.3097
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116850-71-6

System Generated Number

  • 0116850716

Structure Descriptors

InChI

1S/C11H13N3OS/c1-8-4-6-9(7-5-8)10-12-13-11(14(10)2)16(3)15/h4-7H,1-3H3

InChIKey

ITHHMPLHGBBWAA-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)c2nnc(n2C)S(=O)C

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.