1-heptyl-6,7-dimethoxy-2-(4-methylphenyl)sulfanyl-1H-isoquinoline

Systemtic Name: 1-heptyl-6,7-dimethoxy-2-(4-methylphenyl)sulfanyl-1H-isoquinoline Openeye Name: 1-heptyl-6,7-dimethoxy-2-(p-tolylsulfanyl)-1H-isoquinoline CAS Name: 1-heptyl-6,7-dimethoxy-2-[(4-methylphenyl)thio]-1H-isoquinoline IUPAC Name: 1-heptyl-6,7-dimethoxy-2-(4-methylphenyl)sulfanyl-1H-isoquinoline Traditional Name: 1-heptyl-6,7-dimethoxy-2-(p-tolylthio)-1H-isoquinoline Formula: C25H33NO2S MolecularWeight: 411.60002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C2=CC(=C(C=C2C=CN1SC3=CC=C(C=C3)C)OC)OC

Isomeric SMILES

CCCCCCCC1C2=CC(=C(C=C2C=CN1SC3=CC=C(C=C3)C)OC)OC

InChI

InChI=1S/C25H33NO2S/c1-5-6-7-8-9-10-23-22-18-25(28-4)24(27-3)17-20(22)15-16-26(23)29-21-13-11-19(2)12-14-21/h11-18,23H,5-10H2,1-4H3