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

Systemtic Name: 2-oxidanylidene-4-(4-oxidanyl-3-phenylmethoxy-phenyl)-6-(phenylmethylsulfanyl)-3,4-dihydro-1H-pyridine-5-carbonitrile Openeye Name: 4-(3-benzyloxy-4-hydroxy-phenyl)-6-benzylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile CAS Name: 4-(4-hydroxy-3-phenylmethoxyphenyl)-2-oxo-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile IUPAC Name: 6-benzylsulfanyl-4-(4-hydroxy-3-phenylmethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile Traditional Name: 4-(3-benzoxy-4-hydroxy-phenyl)-6-(benzylthio)-2-keto-3,4-dihydro-1H-pyridine-5-carbonitrile Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC(=C(C=C3)O)OCC4=CC=CC=C4

Isomeric SMILES

C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC(=C(C=C3)O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O3S/c27-15-22-21(14-25(30)28-26(22)32-17-19-9-5-2-6-10-19)20-11-12-23(29)24(13-20)31-16-18-7-3-1-4-8-18/h1-13,21,29H,14,16-17H2,(H,28,30)