N-[3,5-bis(trifluoromethyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C15H10F6N2O2S MolecularWeight: 396.307519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10F6N2O2S/c16-14(17,18)9-5-10(15(19,20)21)7-11(6-9)22-12(24)8-26-13-3-1-2-4-23(13)25/h1-7H,8H2,(H,22,24)