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

Systemtic Name: [4-[2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylethanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylacetyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridin-1-iumyl]thio]-1-oxoethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylacetyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[2-[[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-1-ium-2-yl]thio]acetyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C25H17F3N6O3S2 MolecularWeight: 570.56609

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+]C(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)[N-]C4=NC=CC=N4

InChI

InChI=1S/C25H17F3N6O3S2/c26-25(27,28)20-13-21(16-5-2-1-3-6-16)33-23(19(20)14-29)38-15-22(35)32-17-7-9-18(10-8-17)39(36,37)34-24-30-11-4-12-31-24/h1-13H,15H2,(H2,30,31,32,34,35)