N-[3,4-bis(fluoranyl)phenyl]-2-pyridin-1-ium-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-2-pyridin-1-ium-2-ylsulfanyl-ethanamide Openeye Name: N-(3,4-difluorophenyl)-2-pyridin-1-ium-2-ylsulfanyl-acetamide CAS Name: N-(3,4-difluorophenyl)-2-(2-pyridin-1-iumylthio)acetamide IUPAC Name: N-(3,4-difluorophenyl)-2-pyridin-1-ium-2-ylsulfanylacetamide Traditional Name: N-(3,4-difluorophenyl)-2-(pyridin-1-ium-2-ylthio)acetamide Formula: C13H11F2N2OS+ MolecularWeight: 281.301046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)SCC(=O)NC2=CC(=C(C=C2)F)F

Isomeric SMILES

C1=CC=[NH+]C(=C1)SCC(=O)NC2=CC(=C(C=C2)F)F

InChI

InChI=1S/C13H10F2N2OS/c14-10-5-4-9(7-11(10)15)17-12(18)8-19-13-3-1-2-6-16-13/h1-7H,8H2,(H,17,18)/p+1