4-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-5-carbonitrile

Systemtic Name: 4-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanylidene-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 6-benzylsulfanyl-4-(4-hydroxy-3-methoxy-phenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(4-hydroxy-3-methoxyphenyl)-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 6-benzylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 6-(benzylthio)-4-(4-hydroxy-3-methoxy-phenyl)-2-keto-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3)O

InChI

InChI=1S/C20H18N2O3S/c1-25-18-9-14(7-8-17(18)23)15-10-19(24)22-20(16(15)11-21)26-12-13-5-3-2-4-6-13/h2-9,15,23H,10,12H2,1H3,(H,22,24)