4-(4-methoxyphenyl)-2-oxidanylidene-6-phenacylsulfanyl-1H-pyridine-3-carbonitrile

Systemtic Name: 4-(4-methoxyphenyl)-2-oxidanylidene-6-phenacylsulfanyl-1H-pyridine-3-carbonitrile Openeye Name: 4-(4-methoxyphenyl)-2-oxo-6-phenacylsulfanyl-1H-pyridine-3-carbonitrile CAS Name: 4-(4-methoxyphenyl)-2-oxo-6-(phenacylthio)-1H-pyridine-3-carbonitrile IUPAC Name: 4-(4-methoxyphenyl)-2-oxo-6-phenacylsulfanyl-1H-pyridine-3-carbonitrile Traditional Name: 2-keto-4-(4-methoxyphenyl)-6-(phenacylthio)-1H-pyridine-3-carbonitrile Formula: C21H16N2O3S MolecularWeight: 376.42834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C(=O)NC(=C2)SCC(=O)C3=CC=CC=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C(=O)NC(=C2)SCC(=O)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H16N2O3S/c1-26-16-9-7-14(8-10-16)17-11-20(23-21(25)18(17)12-22)27-13-19(24)15-5-3-2-4-6-15/h2-11H,13H2,1H3,(H,23,25)