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

Systemtic Name: 2-[(5-cyano-4-oxidanylidene-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methyl-5-sulfamoyl-phenyl)ethanamide Openeye Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methyl-5-sulfamoyl-phenyl)acetamide CAS Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(2-methyl-5-sulfamoylphenyl)acetamide IUPAC Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methyl-5-sulfamoylphenyl)acetamide Traditional Name: 2-[(5-cyano-4-keto-6-phenyl-1H-pyrimidin-2-yl)thio]-N-(2-methyl-5-sulfamoyl-phenyl)acetamide Formula: C20H17N5O4S2 MolecularWeight: 455.51008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O4S2/c1-12-7-8-14(31(22,28)29)9-16(12)23-17(26)11-30-20-24-18(13-5-3-2-4-6-13)15(10-21)19(27)25-20/h2-9H,11H2,1H3,(H,23,26)(H2,22,28,29)(H,24,25,27)