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

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethanenitrile; ethanehydrazide Openeye Name: acetohydrazide; 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-acetonitrile CAS Name: acetohydrazide; 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercaptoacetonitrile IUPAC Name: acetohydrazide; 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanylacetonitrile Traditional Name: acetohydrazide; 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercapto-acetonitrile Formula: C15H20N4O3S MolecularWeight: 336.4093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S.C2H6N2O/c1-16-10-5-8-3-4-15-13(12(18)7-14)9(8)6-11(10)17-2;1-2(5)4-3/h5-6,12,18H,3-4H2,1-2H3;3H2,1H3,(H,4,5)