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

Systemtic Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C15H12F3N3O4S MolecularWeight: 387.33369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H12F3N3O4S/c1-9(26-13-4-2-3-7-20(13)23)14(22)19-12-6-5-10(21(24)25)8-11(12)15(16,17)18/h2-9H,1H3,(H,19,22)