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Substance Name: 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-4-methyl-5-phenyl-
RN: 116850-45-4
InChIKey: KGRKSAKMQXDVHO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-N3-O2-S

Molecular Weight

  • 251.3087
 
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Names and Synonyms

Synonym

  • 3-(Ethylsulfonyl)-4-methyl-5-phenyl-4H-1,2,4-triazole

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116850-45-4

System Generated Number

  • 0116850454

Structure Descriptors

InChI

1S/C11H13N3O2S/c1-3-17(15,16)11-13-12-10(14(11)2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3

InChIKey

KGRKSAKMQXDVHO-UHFFFAOYSA-N

Smiles

CCS(=O)(=O)c1nnc(n1C)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.