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

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-(2-dimethylaminoethylsulfanyl)ethanenitrile Openeye Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-(2-dimethylaminoethylsulfanyl)acetonitrile CAS Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-(2-dimethylaminoethylthio)acetonitrile IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-(2-dimethylaminoethylsulfanyl)acetonitrile Traditional Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-(2-dimethylaminoethylthio)acetonitrile Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSC(C#N)C1=NCCC2=CC(=C(C=C21)OC)OC

Isomeric SMILES

CN(C)CCSC(C#N)C1=NCCC2=CC(=C(C=C21)OC)OC

InChI

InChI=1S/C17H23N3O2S/c1-20(2)7-8-23-16(11-18)17-13-10-15(22-4)14(21-3)9-12(13)5-6-19-17/h9-10,16H,5-8H2,1-4H3