7-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-2-(4-methylphenyl)sulfanyl-heptanenitrile

Systemtic Name: 7-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-2-(4-methylphenyl)sulfanyl-heptanenitrile Openeye Name: 7-(5,6-dimethoxyisoindolin-2-yl)-2-(p-tolylsulfanyl)heptanenitrile CAS Name: 7-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-2-[(4-methylphenyl)thio]heptanenitrile IUPAC Name: 7-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-2-(4-methylphenyl)sulfanylheptanenitrile Traditional Name: 7-(5,6-dimethoxyisoindolin-2-yl)-2-(p-tolylthio)enanthonitrile Formula: C24H30N2O2S MolecularWeight: 410.5722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O2S/c1-18-8-10-21(11-9-18)29-22(15-25)7-5-4-6-12-26-16-19-13-23(27-2)24(28-3)14-20(19)17-26/h8-11,13-14,22H,4-7,12,16-17H2,1-3H3