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

Systemtic Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenyl-propanamide CAS Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]-N-phenylpropanamide IUPAC Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-phenylpropanamide Traditional Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]-N-phenyl-propionamide Formula: C20H15ClN4O2S MolecularWeight: 410.8767

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)SC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C20H15ClN4O2S/c1-12(18(26)23-15-5-3-2-4-6-15)28-20-24-17(16(11-22)19(27)25-20)13-7-9-14(21)10-8-13/h2-10,12H,1H3,(H,23,26)(H,24,25,27)