Chem
J-GLOBAL ID：200907064803300192   Nikkaji number：J1.141.365J

2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-10-[(6,7-dimethoxy-3,4-dihydroisoquinoline)-2(1H)-yl]decanenitrile

2-(3,4-ジメトキシフェニル)-2-(p-トリルチオ)-10-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]デカンニトリル
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： C36H46N2O4S
Molecular formula furigana： C36-H46-N2-O4-S
Molecular weight： 602.830
InChI： InChI=1S/C36H46N2O4S/c1-27-12-15-31(16-13-27)43-36(26-37,30-14-17-32(39-2)35(24-30)42-5)19-10-8-6-7-9-11-20-38-21-18-28-22-33(40-3)34(41-4)23-29(28)25-38/h12-17,22-24H,6-11,18-21,25H2,1-5H3
InChI key： IHQOGGCMRWUGRD-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(CCCCCCCCN1CCc2cc(OC)c(OC)cc2C1)(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)-10-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]デカンニトリル
  • 10-(6,7-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン-2-イル)-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]デカンニトリル
  • 10-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfanyl]decanenitrile
Other name (1)：
  • 2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-10-[(6,7-dimethoxy-3,4-dihydroisoquinoline)-2(1H)-yl]decanenitrile
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