4-(2-methoxyphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile

Systemtic Name: 4-(2-methoxyphenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile Openeye Name: 6-benzylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile CAS Name: 4-(2-methoxyphenyl)-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile IUPAC Name: 6-benzylsulfanyl-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile Traditional Name: 6-(benzylthio)-2-keto-4-(2-methoxyphenyl)-3,4-dihydro-1H-pyridine-3,5-dicarbonitrile Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H17N3O2S/c1-26-18-10-6-5-9-15(18)19-16(11-22)20(25)24-21(17(19)12-23)27-13-14-7-3-2-4-8-14/h2-10,16,19H,13H2,1H3,(H,24,25)