2-cyclohexylsulfanyl-7-(4,5-dimethoxy-1,3-dihydroisoindol-2-yl)-2-(3,4-dimethoxyphenyl)heptanenitrile

Systemtic Name: 2-cyclohexylsulfanyl-7-(4,5-dimethoxy-1,3-dihydroisoindol-2-yl)-2-(3,4-dimethoxyphenyl)heptanenitrile Openeye Name: 2-cyclohexylsulfanyl-7-(4,5-dimethoxyisoindolin-2-yl)-2-(3,4-dimethoxyphenyl)heptanenitrile CAS Name: 2-(cyclohexylthio)-7-(4,5-dimethoxy-1,3-dihydroisoindol-2-yl)-2-(3,4-dimethoxyphenyl)heptanenitrile IUPAC Name: 2-cyclohexylsulfanyl-7-(4,5-dimethoxy-1,3-dihydroisoindol-2-yl)-2-(3,4-dimethoxyphenyl)heptanenitrile Traditional Name: 2-(cyclohexylthio)-7-(4,5-dimethoxyisoindolin-2-yl)-2-(3,4-dimethoxyphenyl)enanthonitrile Formula: C31H42N2O4S MolecularWeight: 538.74118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CCCCCN2CC3=C(C2)C(=C(C=C3)OC)OC)(C#N)SC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CCCCCN2CC3=C(C2)C(=C(C=C3)OC)OC)(C#N)SC4CCCCC4)OC

InChI

InChI=1S/C31H42N2O4S/c1-34-27-16-14-24(19-29(27)36-3)31(22-32,38-25-11-7-5-8-12-25)17-9-6-10-18-33-20-23-13-15-28(35-2)30(37-4)26(23)21-33/h13-16,19,25H,5-12,17-18,20-21H2,1-4H3