Chem
J-GLOBAL ID：200907014969286468   Nikkaji number：J1.792.938K

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

3-[4-(トリフルオロメチル)ベンジルチオ]-4-(4-メトキシフェニル)-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： C17H14F3N3OS
Molecular formula furigana： C17-H14-F3-N3-O-S
Molecular weight： 365.370
InChI： InChI=1S/C17H14F3N3OS/c1-24-15-8-6-14(7-9-15)23-11-21-22-16(23)25-10-12-2-4-13(5-3-12)17(18,19)20/h2-9,11H,10H2,1H3
InChI key： RZYOYVXHRZGJTK-UHFFFAOYSA-N
SMILES： COc1ccc(cc1)n1cnnc1SCc1ccc(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-(4-メトキシフェニル)-4H-1,2,4-トリアゾール
  • 4-(4-メトキシフェニル)-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-methoxyphenyl)-3-({[4-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
Other name (1)：
  • 3-[4-(Trifluoromethyl)benzylthio]-4-(4-methoxyphenyl)-4H-1,2,4-triazole
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