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

Systemtic Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenyl-2-sulfanyl-ethanenitrile Openeye Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenyl-2-sulfanyl-acetonitrile CAS Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercapto-2-phenylacetonitrile IUPAC Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-phenyl-2-sulfanylacetonitrile Traditional Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercapto-2-phenyl-acetonitrile Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CCN=C2C(C#N)(C3=CC=CC=C3)S)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CCN=C2C(C#N)(C3=CC=CC=C3)S)OCC

InChI

InChI=1S/C21H22N2O2S/c1-3-24-18-12-15-10-11-23-20(17(15)13-19(18)25-4-2)21(26,14-22)16-8-6-5-7-9-16/h5-9,12-13,26H,3-4,10-11H2,1-2H3