6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-methoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 6-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-2-keto-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C24H23N3O3S MolecularWeight: 433.52272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=O)NC(=C2C#N)SCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C24H23N3O3S/c1-30-19-8-6-17(7-9-19)20-12-22(28)26-24(21(20)13-25)31-15-23(29)27-11-10-16-4-2-3-5-18(16)14-27/h2-9,20H,10-12,14-15H2,1H3,(H,26,28)