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

Systemtic Name: 4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxopropyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Formula: C17H14F3N3O3S MolecularWeight: 397.37157

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H14F3N3O3S/c1-10(27-15-4-2-3-7-23(15)26)16(25)22-9-14(24)21-12-8-11(17(18,19)20)5-6-13(12)22/h2-8,10H,9H2,1H3,(H,21,24)