4-[5-cyano-2-(4-methylphenyl)-4-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl]benzenesulfonamide

Systemtic Name: 4-[5-cyano-2-(4-methylphenyl)-4-methylsulfanyl-6-oxidanylidene-pyrimidin-1-yl]benzenesulfonamide Openeye Name: 4-[5-cyano-4-methylsulfanyl-6-oxo-2-(p-tolyl)pyrimidin-1-yl]benzenesulfonamide CAS Name: 4-[5-cyano-2-(4-methylphenyl)-4-(methylthio)-6-oxo-1-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-[5-cyano-2-(4-methylphenyl)-4-methylsulfanyl-6-oxopyrimidin-1-yl]benzenesulfonamide Traditional Name: 4-[5-cyano-6-keto-4-(methylthio)-2-(p-tolyl)pyrimidin-1-yl]benzenesulfonamide Formula: C19H16N4O3S2 MolecularWeight: 412.48534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=O)N2C3=CC=C(C=C3)S(=O)(=O)N)C#N)SC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=O)N2C3=CC=C(C=C3)S(=O)(=O)N)C#N)SC

InChI

InChI=1S/C19H16N4O3S2/c1-12-3-5-13(6-4-12)17-22-18(27-2)16(11-20)19(24)23(17)14-7-9-15(10-8-14)28(21,25)26/h3-10H,1-2H3,(H2,21,25,26)