2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[2,3,4-tris(fluoranyl)phenyl]propanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[2,3,4-tris(fluoranyl)phenyl]propanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-(2,3,4-trifluorophenyl)propanamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2,3,4-trifluorophenyl)propanamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(2,3,4-trifluorophenyl)propionamide Formula: C14H11F3N2O2S MolecularWeight: 328.30955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11F3N2O2S/c1-8(22-11-4-2-3-7-19(11)21)14(20)18-10-6-5-9(15)12(16)13(10)17/h2-8H,1H3,(H,18,20)