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

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)ethanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(3,5-dimethylphenyl)acetamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3,5-dimethylphenyl)acetamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(3,5-dimethylphenyl)acetamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S/c1-13-8-14(2)10-16(9-13)23-18(26)12-28-21-24-19(15-6-4-3-5-7-15)17(11-22)20(27)25-21/h3-10H,12H2,1-2H3,(H,23,26)(H,24,25,27)