Chem
J-GLOBAL ID：200907074141621860   Nikkaji number：J1.055.682A

3-(Benzylthiomethyl)-4-methylbenzonitrile

3-(ベンジルチオメチル)-4-メチルベンゾニトリル
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： C16H15NS
Molecular formula furigana： C16-H15-N-S
Molecular weight： 253.360
InChI： InChI=1S/C16H15NS/c1-13-7-8-15(10-17)9-16(13)12-18-11-14-5-3-2-4-6-14/h2-9H,11-12H2,1H3
InChI key： WACNNTLVNILFEO-UHFFFAOYSA-N
SMILES： Cc1ccc(cc1CSCc1ccccc1)C#N
Systematic name  (3)：
  • 3-(ベンジルチオメチル)-4-メチルベンゾニトリル
  • 3-[(ベンジルスルファニル)メチル]-4-メチルベンゾニトリル
  • 3-[(benzylsulfanyl)methyl]-4-methylbenzonitrile
Other name (1)：
  • 3-(Benzylthiomethyl)-4-methylbenzonitrile
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