5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

Systemtic Name: 5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Openeye Name: 5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole CAS Name: 5-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole IUPAC Name: 5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Traditional Name: 5-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole Formula: C15H10F3N3O2S MolecularWeight: 353.31901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)SCC2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)SCC2=NC(=NO2)C3=CC(=CC=C3)C(F)(F)F)[O-]

InChI

InChI=1S/C15H10F3N3O2S/c16-15(17,18)11-5-3-4-10(8-11)14-19-12(23-20-14)9-24-13-6-1-2-7-21(13)22/h1-8H,9H2