Chem
J-GLOBAL ID：200907029765134771   Nikkaji number：J1.141.360I

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

2-(3,4-ジメトキシフェニル)-2-(p-トリルチオ)-4-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]ブタンニトリル
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： C30H34N2O4S
Molecular formula furigana： C30-H34-N2-O4-S
Molecular weight： 518.669
InChI： InChI=1S/C30H34N2O4S/c1-21-6-9-25(10-7-21)37-30(20-31,24-8-11-26(33-2)29(18-24)36-5)13-15-32-14-12-22-16-27(34-3)28(35-4)17-23(22)19-32/h6-11,16-18H,12-15,19H2,1-5H3
InChI key： SIHGUEMTKSDVOP-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(CCN1CCc2cc(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)-4-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]ブタンニトリル
  • 4-(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]ブタンニトリル
  • 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfanyl]butanenitrile
Other name (1)：
  • 2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-4-[(6,7-dimethoxy-3,4-dihydroisoquinoline)-2(1H)-yl]butanenitrile
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