2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide

Systemtic Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide Openeye Name: 2-[[5-cyano-4-oxo-6-(p-tolyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(2-ethyl-6-methyl-phenyl)propanamide CAS Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-(2-ethyl-6-methylphenyl)propanamide IUPAC Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2-ethyl-6-methylphenyl)propanamide Traditional Name: 2-[[5-cyano-4-keto-6-(p-tolyl)-1H-pyrimidin-2-yl]thio]-N-(2-ethyl-6-methyl-phenyl)propionamide Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)C)C#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)SC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)C)C#N)C

InChI

InChI=1S/C24H24N4O2S/c1-5-17-8-6-7-15(3)20(17)26-22(29)16(4)31-24-27-21(19(13-25)23(30)28-24)18-11-9-14(2)10-12-18/h6-12,16H,5H2,1-4H3,(H,26,29)(H,27,28,30)