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

Systemtic Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-4-(dimethylamino)-2-sulfanyl-butanenitrile Openeye Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-4-(dimethylamino)-2-sulfanyl-butanenitrile CAS Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-4-(dimethylamino)-2-mercaptobutanenitrile IUPAC Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-4-(dimethylamino)-2-sulfanylbutanenitrile Traditional Name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-4-(dimethylamino)-2-mercapto-butyronitrile Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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