Chem
J-GLOBAL ID：200907048975197738   Nikkaji number：J1.792.903H

4-(3-Fluorophenyl)-3-(4-trifluoromethylbenzylthio)-4H-1,2,4-triazole

4-(3-フルオロフェニル)-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
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： C16H11F4N3S
Molecular formula furigana： C16-H11-F4-N3-S
Molecular weight： 353.340
InChI： InChI=1S/C16H11F4N3S/c17-13-2-1-3-14(8-13)23-10-21-22-15(23)24-9-11-4-6-12(7-5-11)16(18,19)20/h1-8,10H,9H2
InChI key： JFHCLVRAVKOUMW-UHFFFAOYSA-N
SMILES： Fc1cccc(c1)n1cnnc1SCc1ccc(cc1)C(F)(F)F
Systematic name  (4)：
  • 3-[4-(トリフルオロメチル)ベンジルチオ]-4-(3-フルオロフェニル)-4H-1,2,4-トリアゾール
  • 4-(3-フルオロフェニル)-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
  • 4-(3-フルオロフェニル)-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-(3-fluorophenyl)-3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Other name (2)：
  • 3-[4-(Trifluoromethyl)benzylthio]-4-(3-fluorophenyl)-4H-1,2,4-triazole
  • 4-(3-Fluorophenyl)-3-(4-trifluoromethylbenzylthio)-4H-1,2,4-triazole
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