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

Systemtic Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethanenitrile; ethanol Openeye Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-acetonitrile; ethanol CAS Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercaptoacetonitrile; ethanol IUPAC Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanylacetonitrile; ethanol Traditional Name: 2-(6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercapto-acetonitrile; ethanol Formula: C17H24N2O3S MolecularWeight: 336.44906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCO.CCOC1=C(C=C2C(=C1)CCN=C2C(C#N)S)OCC

Isomeric SMILES

CCO.CCOC1=C(C=C2C(=C1)CCN=C2C(C#N)S)OCC

InChI

InChI=1S/C15H18N2O2S.C2H6O/c1-3-18-12-7-10-5-6-17-15(14(20)9-16)11(10)8-13(12)19-4-2;1-2-3/h7-8,14,20H,3-6H2,1-2H3;3H,2H2,1H3