N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C14H10F3N3O4S MolecularWeight: 373.30711

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F)[O-]

InChI

InChI=1S/C14H10F3N3O4S/c15-14(16,17)10-7-9(20(23)24)4-5-11(10)18-12(21)8-25-13-3-1-2-6-19(13)22/h1-7H,8H2,(H,18,21)