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

Systemtic Name: [4-[2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylethanoylamino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide Openeye Name: [4-[[2-[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylacetyl]amino]phenyl]sulfonyl-thiazol-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-thiazolyl)azanide IUPAC Name: [4-[[2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-1-ium-2-yl]sulfanylacetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide Traditional Name: [4-[[2-[[3-cyano-6-(2-thienyl)-4-(trifluoromethyl)pyridin-1-ium-2-yl]thio]acetyl]amino]phenyl]sulfonyl-thiazol-2-yl-azanide Formula: C22H14F3N5O3S4 MolecularWeight: 581.63347

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=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=CS4

Isomeric SMILES

C1=CSC(=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=CS4

InChI

InChI=1S/C22H14F3N5O3S4/c23-22(24,25)16-10-17(18-2-1-8-34-18)29-20(15(16)11-26)36-12-19(31)28-13-3-5-14(6-4-13)37(32,33)30-21-27-7-9-35-21/h1-10H,12H2,(H2,27,28,30,31)