13-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-tridecanenitrile

Systemtic Name: 13-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-tridecanenitrile Openeye Name: 13-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)tridecanenitrile CAS Name: 13-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]tridecanenitrile IUPAC Name: 13-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyltridecanenitrile Traditional Name: 13-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)tridecanenitrile Formula: C39H52N2O4S MolecularWeight: 644.90618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCCCCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCCCCCCCN2CCC3=CC(=C(C=C3C2)OC)OC)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C39H52N2O4S/c1-30-15-18-34(19-16-30)46-39(29-40,33-17-20-35(42-2)38(27-33)45-5)22-13-11-9-7-6-8-10-12-14-23-41-24-21-31-25-36(43-3)37(44-4)26-32(31)28-41/h15-20,25-27H,6-14,21-24,28H2,1-5H3