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

Systemtic Name: 2-(4-chlorophenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethanenitrile Openeye Name: 2-(4-chlorophenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-acetonitrile CAS Name: 2-(4-chlorophenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercaptoacetonitrile IUPAC Name: 2-(4-chlorophenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanylacetonitrile Traditional Name: 2-(4-chlorophenyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercapto-acetonitrile Formula: C19H17ClN2O2S MolecularWeight: 372.86848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN2O2S/c1-23-16-9-12-7-8-22-18(15(12)10-17(16)24-2)19(25,11-21)13-3-5-14(20)6-4-13/h3-6,9-10,25H,7-8H2,1-2H3