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Substance Name: 1H-1,2,4-Triazole, 3-(3-fluorophenyl)-1-methyl-5-(methylsulfonyl)-
RN: 154106-12-4
InChIKey: MKEGAUDAHBKFIZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H10-F-N3-O2-S

Molecular Weight

  • 255.272
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 154106-12-4

System Generated Number

  • 0154106124

Structure Descriptors

InChI

1S/C10H10FN3O2S/c1-14-10(17(2,15)16)12-9(13-14)7-4-3-5-8(11)6-7/h3-6H,1-2H3

InChIKey

MKEGAUDAHBKFIZ-UHFFFAOYSA-N

Smiles

Cn1c(nc(n1)c2cccc(c2)F)S(=O)(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 37, Pg. 125, 1994.