[4-[2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylethanoylamino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide

Systemtic Name: [4-[2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylethanoylamino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Openeye Name: [4-[[2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylacetyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide CAS Name: [4-[[2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridin-1-iumyl]thio]-1-oxoethyl]amino]phenyl]sulfonyl-(4,6-dimethyl-2-pyrimidinyl)azanide IUPAC Name: [4-[[2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylacetyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Traditional Name: [4-[[2-[[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]thio]acetyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide Formula: C27H21F3N6O3S2 MolecularWeight: 598.61925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=C(C(=CC(=[NH+]3)C4=CC=CC=C4)C(F)(F)F)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=C(C(=CC(=[NH+]3)C4=CC=CC=C4)C(F)(F)F)C#N)C

InChI

InChI=1S/C27H21F3N6O3S2/c1-16-12-17(2)33-26(32-16)36-41(38,39)20-10-8-19(9-11-20)34-24(37)15-40-25-21(14-31)22(27(28,29)30)13-23(35-25)18-6-4-3-5-7-18/h3-13H,15H2,1-2H3,(H2,32,33,34,36,37)