Chem
J-GLOBAL ID：200907054420195101   Nikkaji number：J1.792.905D

3-[4-(Trifluoromethyl)benzylthio]-4-(4-chlorophenyl)-4H-1,2,4-triazole

3-[4-(トリフルオロメチル)ベンジルチオ]-4-(4-クロロフェニル)-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： C16H11ClF3N3S
Molecular formula furigana： C16-H11-CL-F3-N3-S
Molecular weight： 369.790
InChI： InChI=1S/C16H11ClF3N3S/c17-13-5-7-14(8-6-13)23-10-21-22-15(23)24-9-11-1-3-12(4-2-11)16(18,19)20/h1-8,10H,9H2
InChI key： ZCYLAEJLMVFDTB-UHFFFAOYSA-N
SMILES： FC(F)(F)c1ccc(CSc2nncn2c2ccc(Cl)cc2)cc1
Systematic name  (3)：
  • 3-[4-(トリフルオロメチル)ベンジルチオ]-4-(4-クロロフェニル)-4H-1,2,4-トリアゾール
  • 4-(4-クロロフェニル)-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-(4-chlorophenyl)-3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Other name (1)：
  • 3-[4-(Trifluoromethyl)benzylthio]-4-(4-chlorophenyl)-4H-1,2,4-triazole
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