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

Systemtic Name: (2S)-2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide Openeye Name: (2S)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(p-tolyl)propanamide CAS Name: (2S)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(4-methylphenyl)propanamide IUPAC Name: (2S)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(p-tolyl)propionamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C21H18N4O2S/c1-13-8-10-16(11-9-13)23-19(26)14(2)28-21-24-18(15-6-4-3-5-7-15)17(12-22)20(27)25-21/h3-11,14H,1-2H3,(H,23,26)(H,24,25,27)/t14-/m0/s1