2-[[6-(4-chlorophenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]ethanamide

Systemtic Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]-N-[(1S)-1-phenylethyl]acetamide Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C21H17ClN4O2S/c1-13(14-5-3-2-4-6-14)24-18(27)12-29-21-25-19(17(11-23)20(28)26-21)15-7-9-16(22)10-8-15/h2-10,13H,12H2,1H3,(H,24,27)(H,25,26,28)/t13-/m0/s1