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

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethanenitrile Openeye Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-acetonitrile CAS Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercaptoacetonitrile IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanylacetonitrile Traditional Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercapto-acetonitrile Formula: C13H14N2O2S MolecularWeight: 262.32746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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