Chem
J-GLOBAL ID：200907002355997637   Nikkaji number：J1.141.370F

2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-5-[(6,7-dimethoxy-3,4-dihydroisoquinolin)-2(1H)-yl]pentanenitrile

2-(3,4-ジメトキシフェニル)-2-(p-トリルチオ)-5-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]ペンタンニトリル
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： C31H36N2O4S
Molecular formula furigana： C31-H36-N2-O4-S
Molecular weight： 532.700
InChI： InChI=1S/C31H36N2O4S/c1-22-7-10-26(11-8-22)38-31(21-32,25-9-12-27(34-2)30(19-25)37-5)14-6-15-33-16-13-23-17-28(35-3)29(36-4)18-24(23)20-33/h7-12,17-19H,6,13-16,20H2,1-5H3
InChI key： WSNZXUQRDRRYMN-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(CCCN1CCc2cc(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)-5-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]ペンタンニトリル
  • 5-(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]ペンタンニトリル
  • 5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfanyl]pentanenitrile
Other name (1)：
  • 2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-5-[(6,7-dimethoxy-3,4-dihydroisoquinolin)-2(1H)-yl]pentanenitrile
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