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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)[C@H](C)SC2=NC(=O)C(=C(N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C24H24N4O2S/c1-4-16-12-9-13-17(5-2)20(16)26-22(29)15(3)31-24-27-21(18-10-7-6-8-11-18)19(14-25)23(30)28-24/h6-13,15H,4-5H2,1-3H3,(H,26,29)(H,27,28,30)/t15-/m0/s1