Chem
J-GLOBAL ID：200907005337428390   Nikkaji number：J1.792.898H

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

3-[4-(トリフルオロメチル)ベンジルチオ]-4-(2-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： C17H14F3N3S
Molecular formula furigana： C17-H14-F3-N3-S
Molecular weight： 349.380
InChI： InChI=1S/C17H14F3N3S/c1-12-4-2-3-5-15(12)23-11-21-22-16(23)24-10-13-6-8-14(9-7-13)17(18,19)20/h2-9,11H,10H2,1H3
InChI key： KFIUFTPZNICNLI-UHFFFAOYSA-N
SMILES： Cc1ccccc1n1cnnc1SCc1ccc(cc1)C(F)(F)F
Systematic name  (3)：
  • 3-[4-(トリフルオロメチル)ベンジルチオ]-4-(2-メチルフェニル)-4H-1,2,4-トリアゾール
  • 4-(2-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-(2-methylphenyl)-3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Other name (1)：
  • 3-[4-(Trifluoromethyl)benzylthio]-4-(2-methylphenyl)-4H-1,2,4-triazole
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