Chem
J-GLOBAL ID：200907091690912193   Nikkaji number：J1.141.359E

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

2-(3,4-ジメトキシフェニル)-2-(p-トリルチオ)-6-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]ヘキサンニトリル
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： C32H38N2O4S
Molecular formula furigana： C32-H38-N2-O4-S
Molecular weight： 546.730
InChI： InChI=1S/C32H38N2O4S/c1-23-8-11-27(12-9-23)39-32(22-33,26-10-13-28(35-2)31(20-26)38-5)15-6-7-16-34-17-14-24-18-29(36-3)30(37-4)19-25(24)21-34/h8-13,18-20H,6-7,14-17,21H2,1-5H3
InChI key： PHKCANZMBIZCFV-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(CCCCN1CCc2cc(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)-6-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]ヘキサンニトリル
  • 6-(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]ヘキサンニトリル
  • 6-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfanyl]hexanenitrile
Other name (1)：
  • 2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-6-[(6,7-dimethoxy-3,4-dihydroisoquinoline)-2(1H)-yl]hexanenitrile
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