N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C13H9ClF3N3O2S MolecularWeight: 363.74267

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC2=C(C=C(C=N2)C(F)(F)F)Cl)[O-]

InChI

InChI=1S/C13H9ClF3N3O2S/c14-9-5-8(13(15,16)17)6-18-12(9)19-10(21)7-23-11-3-1-2-4-20(11)22/h1-6H,7H2,(H,18,19,21)