N-(4-fluoranyl-3-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(4-fluoro-3-nitrophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C14H12FN3O4S MolecularWeight: 337.326183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12FN3O4S/c1-9(23-13-4-2-3-7-17(13)20)14(19)16-10-5-6-11(15)12(8-10)18(21)22/h2-9H,1H3,(H,16,19)