Chem
J-GLOBAL ID：200907087822477001   Nikkaji number：J1.141.364A

2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-7-[(6,7-dimethoxy-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-[(6,7-ジメトキシ-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： C33H40N2O4S
Molecular formula furigana： C33-H40-N2-O4-S
Molecular weight： 560.750
InChI： InChI=1S/C33H40N2O4S/c1-24-9-12-28(13-10-24)40-33(23-34,27-11-14-29(36-2)32(21-27)39-5)16-7-6-8-17-35-18-15-25-19-30(37-3)31(38-4)20-26(25)22-35/h9-14,19-21H,6-8,15-18,22H2,1-5H3
InChI key： HLOQUFKUYZBZLI-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(CCCCCN1CCc2cc(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)-7-[(6,7-ジメトキシ-3,4-ジヒドロイソキノリン)-2(1H)-イル]ヘプタンニトリル
  • 7-(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]ヘプタンニトリル
  • 7-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfanyl]heptanenitrile
Other name (1)：
  • 2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-7-[(6,7-dimethoxy-3,4-dihydroisoquinoline)-2(1H)-yl]heptanenitrile
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