5-ethanoyl-4-(4-methoxyphenyl)-6-methyl-2-(2-oxidanylidenepropylsulfanyl)pyridine-3-carbonitrile

Systemtic Name: 5-ethanoyl-4-(4-methoxyphenyl)-6-methyl-2-(2-oxidanylidenepropylsulfanyl)pyridine-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-5-acetyl-4-(4-methoxyphenyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-4-(4-methoxyphenyl)-6-methyl-2-(2-oxopropylthio)-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-4-(4-methoxyphenyl)-6-methyl-2-(2-oxopropylsulfanyl)pyridine-3-carbonitrile Traditional Name: 2-(acetonylthio)-5-acetyl-4-(4-methoxyphenyl)-6-methyl-nicotinonitrile Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=N1)SCC(=O)C)C#N)C2=CC=C(C=C2)OC)C(=O)C

Isomeric SMILES

CC1=C(C(=C(C(=N1)SCC(=O)C)C#N)C2=CC=C(C=C2)OC)C(=O)C

InChI

InChI=1S/C19H18N2O3S/c1-11(22)10-25-19-16(9-20)18(17(13(3)23)12(2)21-19)14-5-7-15(24-4)8-6-14/h5-8H,10H2,1-4H3