Chem
J-GLOBAL ID：200907073600079724   Nikkaji number：J1.778.049B

KYB-39

3-[4-(トリフルオロメチル)ベンジルチオ]-4-フェニル-4H-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： C16H12F3N3S
Molecular formula furigana： C16-H12-F3-N3-S
Molecular weight： 335.350
InChI： InChI=1S/C16H12F3N3S/c17-16(18,19)13-8-6-12(7-9-13)10-23-15-21-20-11-22(15)14-4-2-1-3-5-14/h1-9,11H,10H2
InChI key： YUUWNIMSMGOVPY-UHFFFAOYSA-N
SMILES： FC(F)(F)c1ccc(CSc2nncn2c2ccccc2)cc1
Systematic name  (4)：
  • 4-フェニル-3-[[4-(トリフルオロメチル)ベンジル]チオ]-4H-1,2,4-トリアゾール
  • 3-[4-(トリフルオロメチル)ベンジルチオ]-4-フェニル-4H-1,2,4-トリアゾール
  • 4-フェニル-3-({[4-(トリフルオロメチル)フェニル]メチル}スルファニル)-4H-1,2,4-トリアゾール
  • 4-phenyl-3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Other name (3)：
  • 4-Phenyl-3-[[4-(trifluoromethyl)benzyl]thio]-4H-1,2,4-triazole
  • 3-[4-(Trifluoromethyl)benzylthio]-4-phenyl-4H-1,2,4-triazole
  • KYB-39
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