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

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethanenitrile; prop-1-ene Openeye Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-acetonitrile; prop-1-ene CAS Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercaptoacetonitrile; 1-propene IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanylacetonitrile; prop-1-ene Traditional Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercapto-acetonitrile; prop-1-ene Formula: C16H20N2O2S MolecularWeight: 304.4072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S.C3H6/c1-16-10-5-8-3-4-15-13(12(18)7-14)9(8)6-11(10)17-2;1-3-2/h5-6,12,18H,3-4H2,1-2H3;3H,1H2,2H3