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

Systemtic Name: N-[2-cyano-4-fluoranyl-5-[3-methyl-6-oxidanylidene-2-sulfanylidene-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-1-sulfonamide Openeye Name: N-[2-cyano-4-fluoro-5-[3-methyl-6-oxo-2-thioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-1-sulfonamide CAS Name: N-[2-cyano-4-fluoro-5-[3-methyl-6-oxo-2-sulfanylidene-4-(trifluoromethyl)-1-pyrimidinyl]phenyl]-1-propanesulfonamide IUPAC Name: N-[2-cyano-4-fluoro-5-[3-methyl-6-oxo-2-sulfanylidene-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-1-sulfonamide Traditional Name: N-[2-cyano-4-fluoro-5-[6-keto-3-methyl-2-thioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]propane-1-sulfonamide Formula: C16H14F4N4O3S2 MolecularWeight: 450.430973

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC1=CC(=C(C=C1C#N)F)N2C(=O)C=C(N(C2=S)C)C(F)(F)F

Isomeric SMILES

CCCS(=O)(=O)NC1=CC(=C(C=C1C#N)F)N2C(=O)C=C(N(C2=S)C)C(F)(F)F

InChI

InChI=1S/C16H14F4N4O3S2/c1-3-4-29(26,27)22-11-6-12(10(17)5-9(11)8-21)24-14(25)7-13(16(18,19)20)23(2)15(24)28/h5-7,22H,3-4H2,1-2H3