2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-6-methyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-6-methylpyridine-3-carbonitrile Traditional Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-6-methyl-nicotinonitrile Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC

InChI

InChI=1S/C20H21N3O3S/c1-13-4-5-15(10-21)20(22-13)27-12-19(24)23-7-6-14-8-17(25-2)18(26-3)9-16(14)11-23/h4-5,8-9H,6-7,11-12H2,1-3H3