2-[[6-(4-chlorophenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)ethanamide

Systemtic Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-oxo-1H-pyrimidin-2-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[[6-(4-chlorophenyl)-5-cyano-4-keto-1H-pyrimidin-2-yl]thio]-N-(3,5-dimethylphenyl)acetamide Formula: C21H17ClN4O2S MolecularWeight: 424.90328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C3=CC=C(C=C3)Cl)C#N)C

InChI

InChI=1S/C21H17ClN4O2S/c1-12-7-13(2)9-16(8-12)24-18(27)11-29-21-25-19(17(10-23)20(28)26-21)14-3-5-15(22)6-4-14/h3-9H,11H2,1-2H3,(H,24,27)(H,25,26,28)