7-[5,6-bis(chloranyl)-1,3-dihydroisoindol-2-yl]-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-heptanenitrile

Systemtic Name: 7-[5,6-bis(chloranyl)-1,3-dihydroisoindol-2-yl]-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-heptanenitrile Openeye Name: 7-(5,6-dichloroisoindolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)heptanenitrile CAS Name: 7-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]heptanenitrile IUPAC Name: 7-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylheptanenitrile Traditional Name: 7-(5,6-dichloroisoindolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)enanthonitrile Formula: C30H32Cl2N2O2S MolecularWeight: 555.55828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCN2CC3=CC(=C(C=C3C2)Cl)Cl)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCN2CC3=CC(=C(C=C3C2)Cl)Cl)(C#N)C4=CC(=C(C=C4)OC)OC

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