Chem
J-GLOBAL ID:200907026038603115   Nikkaji number:J2.519.652J

1-[3-(1-Cyano-1-methylethyl)-5-[3-chloro-4-(sulfamoyloxy)phenylthiomethyl]benzyl]-1H-1,2,4-triazole

1-[3-(1-シアノ-1-メチルエチル)-5-[3-クロロ-4-(スルファモイルオキシ)フェニルチオメチル]ベンジル]-1H-1,2,4-トリアゾール
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C20H20ClN5O3S2
Molecular formula furigana: C20-H20-CL-N5-O3-S2
Molecular weight: 477.980
InChI: InChI=1S/C20H20ClN5O3S2/c1-20(2,11-22)16-6-14(9-26-13-24-12-25-26)5-15(7-16)10-30-17-3-4-19(18(21)8-17)29-31(23,27)28/h3-8,12-13H,9-10H2,1-2H3,(H2,23,27,28)
InChI key: VNFMZJIBVDZUDM-UHFFFAOYSA-N
SMILES: CC(C)(C#N)c1cc(CSc2ccc(OS(=O)(=O)N)c(Cl)c2)cc(Cn2cncn2)c1
Systematic name  (4):
  • 2-[3-(1H-1,2,4-トリアゾール-1-イルメチル)-5-[3-クロロ-4-(スルファモイルオキシ)フェニルチオメチル]フェニル]-2-メチルプロピオノニトリル
  • 1-[3-(1-シアノ-1-メチルエチル)-5-[3-クロロ-4-(スルファモイルオキシ)フェニルチオメチル]ベンジル]-1H-1,2,4-トリアゾール
  • 2-クロロ-4-({[3-(1-シアノ-1-メチルエチル)-5-[(1H-1,2,4-トリアゾール-1-イル)メチル]フェニル]メチル}スルファニル)フェニル スルファマート
  • 2-chloro-4-({[3-(1-cyano-1-methylethyl)-5-[(1H-1,2,4-triazol-1-yl)methyl]phenyl]methyl}sulfanyl)phenyl sulfamate
Other name (2):
  • 2-[3-(1H-1,2,4-Triazole-1-ylmethyl)-5-[3-chloro-4-(sulfamoyloxy)phenylthiomethyl]phenyl]-2-methylpropiononitrile
  • 1-[3-(1-Cyano-1-methylethyl)-5-[3-chloro-4-(sulfamoyloxy)phenylthiomethyl]benzyl]-1H-1,2,4-triazole
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