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Substance Name: 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-
RN: 116850-66-9
InChIKey: CNEAOFIRLZNTDC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H12-F-N3-O2-S

Molecular Weight

  • 269.2988
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116850-66-9

System Generated Number

  • 0116850669

Structure Descriptors

InChI

1S/C11H12FN3O2S/c1-3-18(16,17)11-14-13-10(15(11)2)8-6-4-5-7-9(8)12/h4-7H,3H2,1-2H3

InChIKey

CNEAOFIRLZNTDC-UHFFFAOYSA-N

Smiles

CCS(=O)(=O)c1nnc(n1C)c2ccccc2F

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.