N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-1-methyl-2-oxidanylidene-4-(trifluoromethyl)quinoline-6-sulfonamide

Systemtic Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-1-methyl-2-oxidanylidene-4-(trifluoromethyl)quinoline-6-sulfonamide Openeye Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide CAS Name: N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-1-methyl-2-oxo-4-(trifluoromethyl)-6-quinolinesulfonamide IUPAC Name: N-(4-cyano-3-methylsulfanyl-1H-pyrazol-5-yl)-1-methyl-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide Traditional Name: N-[4-cyano-3-(methylthio)-1H-pyrazol-5-yl]-2-keto-1-methyl-4-(trifluoromethyl)quinoline-6-sulfonamide Formula: C16H12F3N5O3S2 MolecularWeight: 443.42339

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C(=NN3)SC)C#N)C(=CC1=O)C(F)(F)F

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=C(C(=NN3)SC)C#N)C(=CC1=O)C(F)(F)F

InChI

InChI=1S/C16H12F3N5O3S2/c1-24-12-4-3-8(5-9(12)11(6-13(24)25)16(17,18)19)29(26,27)23-14-10(7-20)15(28-2)22-21-14/h3-6H,1-2H3,(H2,21,22,23)