N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C16H14F3N3O3S MolecularWeight: 385.36087

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])C(F)(F)F

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)CSC2=CC=CC=[N+]2[O-])C(F)(F)F

InChI

InChI=1S/C16H14F3N3O3S/c1-10(23)20-11-5-6-13(12(8-11)16(17,18)19)21-14(24)9-26-15-4-2-3-7-22(15)25/h2-8H,9H2,1H3,(H,20,23)(H,21,24)