(2S)-N-(3-chloranyl-4-methyl-phenyl)-2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methyl-phenyl)-2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(3-chloro-4-methyl-phenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: (2S)-N-(3-chloro-4-methylphenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: (2S)-N-(3-chloro-4-methylphenyl)-2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(3-chloro-4-methyl-phenyl)-2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]propionamide Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O2S/c1-12-8-9-15(10-17(12)22)24-19(27)13(2)29-21-25-18(14-6-4-3-5-7-14)16(11-23)20(28)26-21/h3-10,13H,1-2H3,(H,24,27)(H,25,26,28)/t13-/m0/s1