2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenyl-2-sulfanyl-ethanenitrile

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenyl-2-sulfanyl-ethanenitrile Openeye Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenyl-2-sulfanyl-acetonitrile CAS Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercapto-2-phenylacetonitrile IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenyl-2-sulfanylacetonitrile Traditional Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercapto-2-phenyl-acetonitrile Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2C(C#N)(C3=CC=CC=C3)S)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2C(C#N)(C3=CC=CC=C3)S)OC

InChI

InChI=1S/C19H18N2O2S/c1-22-16-10-13-8-9-21-18(15(13)11-17(16)23-2)19(24,12-20)14-6-4-3-5-7-14/h3-7,10-11,24H,8-9H2,1-2H3