Chem
J-GLOBAL ID：200907079453717963   Nikkaji number：J1.141.368D

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

2-(3,4-ジメトキシフェニル)-2-(p-トリルチオ)-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： C32H38N2O4S
Molecular formula furigana： C32-H38-N2-O4-S
Molecular weight： 546.730
InChI： InChI=1S/C32H38N2O4S/c1-23-9-12-27(13-10-23)39-32(22-33,26-11-14-28(35-2)31(19-26)38-5)15-7-6-8-16-34-20-24-17-29(36-3)30(37-4)18-25(24)21-34/h9-14,17-19H,6-8,15-16,20-21H2,1-5H3
InChI key： WSYQXCUIGUQRGH-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(CCCCCN1Cc2cc(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-(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
  • 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)-2-[(4-メチルフェニル)スルファニル]ヘプタンニトリル
  • 7-(5,6-dimethoxy-2,3-dihydro-1H-isoindol-2-yl)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)sulfanyl]heptanenitrile
Other name (1)：
  • 2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-7-(5,6-dimethoxyisoindoline-2-yl)heptanenitrile
Thsaurus map：
Thesaurus Map

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