N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-bromanyl-4,6-bis(fluoranyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-bromo-4,6-difluoro-phenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(2-bromo-4,6-difluorophenyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(2-bromo-4,6-difluorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(2-bromo-4,6-difluoro-phenyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C13H9BrF2N2O2S MolecularWeight: 375.188566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC(=O)NC2=C(C=C(C=C2Br)F)F)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC(=O)NC2=C(C=C(C=C2Br)F)F)[O-]

InChI

InChI=1S/C13H9BrF2N2O2S/c14-9-5-8(15)6-10(16)13(9)17-11(19)7-21-12-3-1-2-4-18(12)20/h1-6H,7H2,(H,17,19)