4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Formula: C16H12F3N3O3S MolecularWeight: 383.34499

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(N1C(=O)CSC3=CC=CC=[N+]3[O-])C=CC(=C2)C(F)(F)F

Isomeric SMILES

C1C(=O)NC2=C(N1C(=O)CSC3=CC=CC=[N+]3[O-])C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H12F3N3O3S/c17-16(18,19)10-4-5-12-11(7-10)20-13(23)8-21(12)14(24)9-26-15-3-1-2-6-22(15)25/h1-7H,8-9H2,(H,20,23)