2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)propanamide

Systemtic Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)propanamide Openeye Name: 2-[[5-cyano-4-oxo-6-(p-tolyl)-1H-pyrimidin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)propanamide CAS Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]thio]-N-(2,3-dimethylphenyl)propanamide IUPAC Name: 2-[[5-cyano-6-(4-methylphenyl)-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(2,3-dimethylphenyl)propanamide Traditional Name: 2-[[5-cyano-4-keto-6-(p-tolyl)-1H-pyrimidin-2-yl]thio]-N-(2,3-dimethylphenyl)propionamide Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SC(C)C(=O)NC3=CC=CC(=C3C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SC(C)C(=O)NC3=CC=CC(=C3C)C)C#N

InChI

InChI=1S/C23H22N4O2S/c1-13-8-10-17(11-9-13)20-18(12-24)22(29)27-23(26-20)30-16(4)21(28)25-19-7-5-6-14(2)15(19)3/h5-11,16H,1-4H3,(H,25,28)(H,26,27,29)