Chem
J-GLOBAL ID：200907029826786645   Nikkaji number：J1.141.371D

2-(3,4-Dimethoxyphenyl)-2-(cyclohexylthio)-7-(5,6-dimethoxyisoindoline-2-yl)heptanenitrile

2-(3,4-ジメトキシフェニル)-2-(シクロヘキシルチオ)-7-(5,6-ジメトキシイソインドリン-2-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： C31H42N2O4S
Molecular formula furigana： C31-H42-N2-O4-S
Molecular weight： 538.750
InChI： InChI=1S/C31H42N2O4S/c1-34-27-14-13-25(19-30(27)37-4)31(22-32,38-26-11-7-5-8-12-26)15-9-6-10-16-33-20-23-17-28(35-2)29(36-3)18-24(23)21-33/h13-14,17-19,26H,5-12,15-16,20-21H2,1-4H3
InChI key： WQZQHTIOKOVIQA-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(CCCCCN1Cc2cc(OC)c(OC)cc2C1)(SC1CCCCC1)C#N
Systematic name  (3)：
  • 2-(3,4-ジメトキシフェニル)-2-(シクロヘキシルチオ)-7-(5,6-ジメトキシイソインドリン-2-イル)ヘプタンニトリル
  • 2-(シクロヘキシルスルファニル)-7-(5,6-ジメトキシ-2,3-ジヒドロ-1H-イソインドール-2-イル)-2-(3,4-ジメトキシフェニル)ヘプタンニトリル
  • 2-(cyclohexylsulfanyl)-7-(5,6-dimethoxy-2,3-dihydro-1H-isoindol-2-yl)-2-(3,4-dimethoxyphenyl)heptanenitrile
Other name (1)：
  • 2-(3,4-Dimethoxyphenyl)-2-(cyclohexylthio)-7-(5,6-dimethoxyisoindoline-2-yl)heptanenitrile
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