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

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

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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=CC=C3)C#N)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H](C)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C23H22N4O2S/c1-4-16-12-8-9-14(2)19(16)25-21(28)15(3)30-23-26-20(17-10-6-5-7-11-17)18(13-24)22(29)27-23/h5-12,15H,4H2,1-3H3,(H,25,28)(H,26,27,29)/t15-/m0/s1