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

Systemtic Name: 2-(2-diethylaminoethylsulfanyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)ethanenitrile Openeye Name: 2-(2-diethylaminoethylsulfanyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile CAS Name: 2-(2-diethylaminoethylthio)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile IUPAC Name: 2-(2-diethylaminoethylsulfanyl)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile Traditional Name: 2-(2-diethylaminoethylthio)-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)acetonitrile Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2S/c1-5-22(6-2)9-10-25-18(13-20)19-15-12-17(24-4)16(23-3)11-14(15)7-8-21-19/h11-12,18H,5-10H2,1-4H3