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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C23H22N4O2S/c1-4-16-7-11-18(12-8-16)25-21(28)15(3)30-23-26-20(19(13-24)22(29)27-23)17-9-5-14(2)6-10-17/h5-12,15H,4H2,1-3H3,(H,25,28)(H,26,27,29)