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

Systemtic Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile Openeye Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-4,6-diphenyl-pyridine-3-carbonitrile CAS Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4,6-diphenyl-3-pyridinecarbonitrile IUPAC Name: 2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4,6-diphenylpyridine-3-carbonitrile Traditional Name: 2-[[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-4,6-diphenyl-nicotinonitrile Formula: C31H27N3O3S MolecularWeight: 521.62938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)OC

InChI

InChI=1S/C31H27N3O3S/c1-36-28-15-23-13-14-34(19-24(23)16-29(28)37-2)30(35)20-38-31-26(18-32)25(21-9-5-3-6-10-21)17-27(33-31)22-11-7-4-8-12-22/h3-12,15-17H,13-14,19-20H2,1-2H3