2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethanenitrile; propan-1-ol

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethanenitrile; propan-1-ol Openeye Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-acetonitrile; propan-1-ol CAS Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercaptoacetonitrile; 1-propanol IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanylacetonitrile; propan-1-ol Traditional Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercapto-acetonitrile; propan-1-ol Formula: C16H22N2O3S MolecularWeight: 322.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCO.COC1=C(C=C2C(=C1)CCN=C2C(C#N)S)OC

Isomeric SMILES

CCCO.COC1=C(C=C2C(=C1)CCN=C2C(C#N)S)OC

InChI

InChI=1S/C13H14N2O2S.C3H8O/c1-16-10-5-8-3-4-15-13(12(18)7-14)9(8)6-11(10)17-2;1-2-3-4/h5-6,12,18H,3-4H2,1-2H3;4H,2-3H2,1H3