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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NC(=C(C2=O)C#N)SC)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NC(=C(C2=O)C#N)SC)C3=CC=C(C=C3)S(=O)(=O)N

InChI

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