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Substance Name: Bencarbazone [ISO]
RN: 173980-17-1
UNII: 1L6YBH3E98
InChIKey: LVKBXDHACCFCTA-UHFFFAOYSA-N

Molecular Formula

  • C13-H13-F4-N5-O3-S2

Molecular Weight

  • 427.4017
 
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Names and Synonyms

Name of Substance

  • Bencarbazone [ISO]

Synonyms

  • Bencarbazone
  • UNII-1L6YBH3E98

Systematic Names

  • 4-(4,5-dihydro-4-methyl-5-oxo-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl)-2-((ethylsulfonyl)amino)-5-fluorobenzenecarbothioamide
  • Benzenecarbothioamide, 4-(4,5-dihydro-4-methyl-5-oxo-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl)-2-((ethylsulfonyl)amino)-5-fluoro-

Registry Numbers

CAS Registry Number

  • 173980-17-1

FDA UNII

  • 1L6YBH3E98

System Generated Number

  • 0173980171

Structure Descriptors

InChI

1S/C13H13F4N5O3S2/c1-3-27(24,25)20-8-5-9(7(14)4-6(8)10(18)26)22-12(23)21(2)11(19-22)13(15,16)17/h4-5,20H,3H2,1-2H3,(H2,18,26)

InChIKey

LVKBXDHACCFCTA-UHFFFAOYSA-N

Smiles

CCS(=O)(=O)Nc1cc(c(cc1C(=S)N)F)n2c(=O)n(c(n2)C(F)(F)F)C