3-heptyl-5,6-dimethoxy-3-(4-methylphenyl)sulfanyl-1,2-dihydroisoindole

Systemtic Name: 3-heptyl-5,6-dimethoxy-3-(4-methylphenyl)sulfanyl-1,2-dihydroisoindole Openeye Name: 1-heptyl-5,6-dimethoxy-1-(p-tolylsulfanyl)isoindoline CAS Name: 3-heptyl-5,6-dimethoxy-3-[(4-methylphenyl)thio]-1,2-dihydroisoindole IUPAC Name: 3-heptyl-5,6-dimethoxy-3-(4-methylphenyl)sulfanyl-1,2-dihydroisoindole Traditional Name: 1-heptyl-5,6-dimethoxy-1-(p-tolylthio)isoindoline Formula: C24H33NO2S MolecularWeight: 399.58932

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C2=CC(=C(C=C2CN1)OC)OC)SC3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCCC1(C2=CC(=C(C=C2CN1)OC)OC)SC3=CC=C(C=C3)C

InChI

InChI=1S/C24H33NO2S/c1-5-6-7-8-9-14-24(28-20-12-10-18(2)11-13-20)21-16-23(27-4)22(26-3)15-19(21)17-25-24/h10-13,15-16,25H,5-9,14,17H2,1-4H3