4-(5-cyano-4-methylsulfanyl-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)benzenesulfonamide

Systemtic Name: 4-(5-cyano-4-methylsulfanyl-6-oxidanylidene-2-phenyl-pyrimidin-1-yl)benzenesulfonamide Openeye Name: 4-(5-cyano-4-methylsulfanyl-6-oxo-2-phenyl-pyrimidin-1-yl)benzenesulfonamide CAS Name: 4-[5-cyano-4-(methylthio)-6-oxo-2-phenyl-1-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-(5-cyano-4-methylsulfanyl-6-oxo-2-phenylpyrimidin-1-yl)benzenesulfonamide Traditional Name: 4-[5-cyano-6-keto-4-(methylthio)-2-phenyl-pyrimidin-1-yl]benzenesulfonamide Formula: C18H14N4O3S2 MolecularWeight: 398.45876

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C#N

Isomeric SMILES

CSC1=C(C(=O)N(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N)C#N

InChI

InChI=1S/C18H14N4O3S2/c1-26-17-15(11-19)18(23)22(16(21-17)12-5-3-2-4-6-12)13-7-9-14(10-8-13)27(20,24)25/h2-10H,1H3,(H2,20,24,25)