N-[2-[2-fluoranyl-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]ethyl]ethanamide

Systemtic Name: N-[2-[2-fluoranyl-4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]ethyl]ethanamide Openeye Name: N-[2-[2-fluoro-4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]ethyl]acetamide CAS Name: N-[2-[2-fluoro-4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]phenyl]ethyl]acetamide IUPAC Name: N-[2-[2-fluoro-4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]ethyl]acetamide Traditional Name: N-[2-[2-fluoro-4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]phenyl]ethyl]acetamide Formula: C17H17FN2O3S MolecularWeight: 348.391883

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=C(C=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-])F

Isomeric SMILES

CC(=O)NCCC1=C(C=C(C=C1)C(=O)CSC2=CC=CC=[N+]2[O-])F

InChI

InChI=1S/C17H17FN2O3S/c1-12(21)19-8-7-13-5-6-14(10-15(13)18)16(22)11-24-17-4-2-3-9-20(17)23/h2-6,9-10H,7-8,11H2,1H3,(H,19,21)