2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-methyl-N-(phenylmethyl)ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O2S/c1-25(13-15-8-4-2-5-9-15)18(26)14-28-21-23-19(16-10-6-3-7-11-16)17(12-22)20(27)24-21/h2-11H,13-14H2,1H3,(H,23,24,27)