N-[2-cyano-4-fluoranyl-5-[3-methyl-6-oxidanylidene-2-sulfanylidene-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-N-methylsulfonyl-ethanesulfonamide

Systemtic Name: N-[2-cyano-4-fluoranyl-5-[3-methyl-6-oxidanylidene-2-sulfanylidene-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-N-methylsulfonyl-ethanesulfonamide Openeye Name: N-[2-cyano-4-fluoro-5-[3-methyl-6-oxo-2-thioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-N-methylsulfonyl-ethanesulfonamide CAS Name: N-[2-cyano-4-fluoro-5-[3-methyl-6-oxo-2-sulfanylidene-4-(trifluoromethyl)-1-pyrimidinyl]phenyl]-N-methylsulfonylethanesulfonamide IUPAC Name: N-[2-cyano-4-fluoro-5-[3-methyl-6-oxo-2-sulfanylidene-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-N-methylsulfonylethanesulfonamide Traditional Name: N-[2-cyano-4-fluoro-5-[6-keto-3-methyl-2-thioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]-N-mesyl-ethanesulfonamide Formula: C16H14F4N4O5S3 MolecularWeight: 514.494773

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N(C1=CC(=C(C=C1C#N)F)N2C(=O)C=C(N(C2=S)C)C(F)(F)F)S(=O)(=O)C

Isomeric SMILES

CCS(=O)(=O)N(C1=CC(=C(C=C1C#N)F)N2C(=O)C=C(N(C2=S)C)C(F)(F)F)S(=O)(=O)C

InChI

InChI=1S/C16H14F4N4O5S3/c1-4-32(28,29)24(31(3,26)27)11-6-12(10(17)5-9(11)8-21)23-14(25)7-13(16(18,19)20)22(2)15(23)30/h5-7H,4H2,1-3H3