2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: 2-[(5-cyano-6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(p-tolylsulfonyl)acetamide CAS Name: 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)thio]-N-(4-methylphenyl)sulfonylacetamide IUPAC Name: 2-[(5-cyano-6-ethyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)sulfonylacetamide Traditional Name: 2-[(5-cyano-6-ethyl-4-keto-1H-pyrimidin-2-yl)thio]-N-tosyl-acetamide Formula: C16H16N4O4S2 MolecularWeight: 392.45264

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C#N

InChI

InChI=1S/C16H16N4O4S2/c1-3-13-12(8-17)15(22)19-16(18-13)25-9-14(21)20-26(23,24)11-6-4-10(2)5-7-11/h4-7H,3,9H2,1-2H3,(H,20,21)(H,18,19,22)