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

Systemtic Name: 4-(4-chlorophenyl)-5-ethanoyl-6-methyl-2-(2-oxidanylidenepropylsulfanyl)pyridine-3-carbonitrile Openeye Name: 2-acetonylsulfanyl-5-acetyl-4-(4-chlorophenyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-4-(4-chlorophenyl)-6-methyl-2-(2-oxopropylthio)-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-4-(4-chlorophenyl)-6-methyl-2-(2-oxopropylsulfanyl)pyridine-3-carbonitrile Traditional Name: 2-(acetonylthio)-5-acetyl-4-(4-chlorophenyl)-6-methyl-nicotinonitrile Formula: C18H15ClN2O2S MolecularWeight: 358.8419

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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)Cl)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O2S/c1-10(22)9-24-18-15(8-20)17(13-4-6-14(19)7-5-13)16(12(3)23)11(2)21-18/h4-7H,9H2,1-3H3