Chem
J-GLOBAL ID：200907027280267975   Nikkaji number：J1.792.904F

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

3-[4-(トリフルオロメチル)ベンジルチオ]-4-[3-(トリフルオロメチル)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： C17H11F6N3S
Molecular formula furigana： C17-H11-F6-N3-S
Molecular weight： 403.350
InChI： InChI=1S/C17H11F6N3S/c18-16(19,20)12-6-4-11(5-7-12)9-27-15-25-24-10-26(15)14-3-1-2-13(8-14)17(21,22)23/h1-8,10H,9H2
InChI key： PWAGLCJQLPGBOW-UHFFFAOYSA-N
SMILES： FC(F)(F)c1ccc(CSc2nncn2c2cccc(c2)C(F)(F)F)cc1
Systematic name  (3)：
  • 3-[4-(トリフルオロメチル)ベンジルチオ]-4-[3-(トリフルオロメチル)フェニル]-4H-1,2,4-トリアゾール
  • 4-[3-(トリフルオロメチル)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-(trifluoromethyl)phenyl]-3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Other name (1)：
  • 3-[4-(Trifluoromethyl)benzylthio]-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole
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