2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-5-ethanoyl-4-(4-methoxyphenyl)-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[2,4-bis(oxidanylidene)pentan-3-ylsulfanyl]-5-ethanoyl-4-(4-methoxyphenyl)-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-(1-acetyl-2-oxo-propyl)sulfanyl-4-(4-methoxyphenyl)-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-(2,4-dioxopentan-3-ylthio)-4-(4-methoxyphenyl)-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-(2,4-dioxopentan-3-ylsulfanyl)-4-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(1-acetyl-2-keto-propyl)thio]-4-(4-methoxyphenyl)-6-methyl-nicotinonitrile Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-11-18(12(2)24)19(15-6-8-16(27-5)9-7-15)17(10-22)21(23-11)28-20(13(3)25)14(4)26/h6-9,20H,1-5H3