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Substance Name: 1H-1,2,4-Triazole, 3-(4-fluorophenyl)-5-(methylthio)-
RN: 116850-62-5
InChIKey: XGIQPISRUKLECF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H8-F-N3-S

Molecular Weight

  • 209.2472
 
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Names and Synonyms

Synonym

  • 3-(4-Fluorophenyl)-5-(methylthio)-1H-1,2,4-triazole

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 116850-62-5

System Generated Number

  • 0116850625

Structure Descriptors

InChI

1S/C9H8FN3S/c1-14-9-11-8(12-13-9)6-2-4-7(10)5-3-6/h2-5H,1H3,(H,11,12,13)

InChIKey

XGIQPISRUKLECF-UHFFFAOYSA-N

Smiles

CSc1[nH]nc(n1)c2ccc(cc2)F

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.