Chem
J-GLOBAL ID：200907047967983400   Nikkaji number：J1.141.369B

2-(3,4-Dimethoxyphenyl)-2-(p-tolylthio)-7-(5,6-dichloroisoindoline-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-ジクロロイソインドリン-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： C30H32Cl2N2O2S
Molecular formula furigana： C30-H32-CL2-N2-O2-S
Molecular weight： 555.560
InChI： InChI=1S/C30H32Cl2N2O2S/c1-21-7-10-25(11-8-21)37-30(20-33,24-9-12-28(35-2)29(17-24)36-3)13-5-4-6-14-34-18-22-15-26(31)27(32)16-23(22)19-34/h7-12,15-17H,4-6,13-14,18-19H2,1-3H3
InChI key： IUXVTTIEWNQBCE-UHFFFAOYSA-N
SMILES： COc1ccc(cc1OC)C(CCCCCN1Cc2cc(Cl)c(Cl)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-ジクロロイソインドリン-2-イル)ヘプタンニトリル
  • 7-(5,6-ジクロロ-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-dichloro-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-dichloroisoindoline-2-yl)heptanenitrile
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