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

Systemtic Name: [4-[2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylethanoylamino]phenyl]sulfonyl-pyrimidin-2-yl-azanide Openeye Name: [4-[[2-[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylacetyl]amino]phenyl]sulfonyl-pyrimidin-2-yl-azanide CAS Name: [4-[[2-[[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)-2-pyridin-1-iumyl]thio]-1-oxoethyl]amino]phenyl]sulfonyl-(2-pyrimidinyl)azanide IUPAC Name: [4-[[2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylacetyl]amino]phenyl]sulfonyl-pyrimidin-2-ylazanide Traditional Name: [4-[[2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)pyridin-1-ium-2-yl]thio]acetyl]amino]phenyl]sulfonyl-(2-pyrimidyl)azanide Formula: C23H15F3N6O3S3 MolecularWeight: 576.59381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=C(C(=CC(=[NH+]3)C4=CC=CS4)C(F)(F)F)C#N

Isomeric SMILES

C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=C(C(=CC(=[NH+]3)C4=CC=CS4)C(F)(F)F)C#N

InChI

InChI=1S/C23H15F3N6O3S3/c24-23(25,26)17-11-18(19-3-1-10-36-19)31-21(16(17)12-27)37-13-20(33)30-14-4-6-15(7-5-14)38(34,35)32-22-28-8-2-9-29-22/h1-11H,13H2,(H2,28,29,30,32,33)