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Substance Name: 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-
RN: 116850-59-0
InChIKey: OTAKPFNZTKFBOY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H13-N3-O2-S

Molecular Weight

  • 287.3417
 
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Names and Synonyms

Synonyms

  • 4-Methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-4H-1,2,4-triazole
  • RTECS YD2114000

Systematic Name

  • 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-

Registry Numbers

CAS Registry Number

  • 116850-59-0

System Generated Number

  • 0116850590

Structure Descriptors

InChI

1S/C14H13N3O2S/c1-17-13(15-16-14(17)20(2,18)19)12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,1-2H3

InChIKey

OTAKPFNZTKFBOY-UHFFFAOYSA-N

Smiles

Cn1c(nnc1S(=O)(=O)C)c2ccc3ccccc3c2

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.