Chem
J-GLOBAL ID：200907016334702816   Nikkaji number：J1.141.363C

2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-7-[(3,4-dihydroisoquinoline)-2(1H)-yl]heptanenitrile

2-(3,4-ジメトキシフェニル)-2-(p-トリルチオ)-7-[(3,4-ジヒドロイソキノリン)-2(1H)-イル]ヘプタンニトリル
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： C31H36N2O2S
Molecular formula furigana： C31-H36-N2-O2-S
Molecular weight： 500.700
InChI： InChI=1S/C31H36N2O2S/c1-24-11-14-28(15-12-24)36-31(23-32,27-13-16-29(34-2)30(21-27)35-3)18-7-4-8-19-33-20-17-25-9-5-6-10-26(25)22-33/h5-6,9-16,21H,4,7-8,17-20,22H2,1-3H3
InChI key： GXJHUAZBKIYVKG-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(CCCCCN1CCc2ccccc2C1)(Sc1ccc(C)cc1)C#N
Systematic name  (3)：
  • 2-(3,4-ジメトキシフェニル)-2-(p-トリルチオ)-7-[(3,4-ジヒドロイソキノリン)-2(1H)-イル]ヘプタンニトリル
  • 2-(3,4-ジメトキシフェニル)-2-[(4-メチルフェニル)スルファニル]-7-(1,2,3,4-テトラヒドロイソキノリン-2-イル)ヘプタンニトリル
  • 2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfanyl]-7-(1,2,3,4-tetrahydroisoquinolin-2-yl)heptanenitrile
Other name (1)：
  • 2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-7-[(3,4-dihydroisoquinoline)-2(1H)-yl]heptanenitrile
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