2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-propanoyl-1H-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-5-propanoyl-1H-pyridine-3-carbonitrile Openeye Name: 6-oxo-2-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-5-propanoyl-1H-pyridine-3-carbonitrile CAS Name: 2-[[2-(4-methylphenyl)-2-oxoethyl]thio]-6-oxo-5-(1-oxopropyl)-1H-pyridine-3-carbonitrile IUPAC Name: 2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-6-oxo-5-propanoyl-1H-pyridine-3-carbonitrile Traditional Name: 6-keto-2-[[2-keto-2-(p-tolyl)ethyl]thio]-5-propionyl-1H-pyridine-3-carbonitrile Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(NC1=O)SCC(=O)C2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCC(=O)C1=CC(=C(NC1=O)SCC(=O)C2=CC=C(C=C2)C)C#N

InChI

InChI=1S/C18H16N2O3S/c1-3-15(21)14-8-13(9-19)18(20-17(14)23)24-10-16(22)12-6-4-11(2)5-7-12/h4-8H,3,10H2,1-2H3,(H,20,23)