N-(2-fluorophenyl)-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-fluorophenyl)-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(2-fluorophenyl)-3-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-(2-fluorophenyl)-3-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(2-fluorophenyl)-3-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(2-fluorophenyl)-3-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C14H13FN2O2S MolecularWeight: 292.328623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCSC2=CC=CC=[N+]2[O-])F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCSC2=CC=CC=[N+]2[O-])F

InChI

InChI=1S/C14H13FN2O2S/c15-11-5-1-2-6-12(11)16-13(18)8-10-20-14-7-3-4-9-17(14)19/h1-7,9H,8,10H2,(H,16,18)