3-(bromomethyl)-7-ethoxy-6-fluoranyl-4-oxidanidyl-2-phenylsulfanyl-quinoxalin-1-ium 1-oxide

Systemtic Name: 3-(bromomethyl)-7-ethoxy-6-fluoranyl-4-oxidanidyl-2-phenylsulfanyl-quinoxalin-1-ium 1-oxide Openeye Name: 3-(bromomethyl)-7-ethoxy-6-fluoro-4-oxido-2-phenylsulfanyl-quinoxalin-1-ium 1-oxide CAS Name: 3-(bromomethyl)-7-ethoxy-6-fluoro-4-oxido-2-(phenylthio)quinoxalin-1-ium 1-oxide IUPAC Name: 3-(bromomethyl)-7-ethoxy-6-fluoro-4-oxido-2-phenylsulfanylquinoxalin-1-ium 1-oxide Traditional Name: 3-(bromomethyl)-7-ethoxy-6-fluoro-4-oxido-2-(phenylthio)quinoxalin-1-ium 1-oxide Formula: C17H14BrFN2O3S MolecularWeight: 425.272063

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)[N+](=O)C(=C(N2[O-])CBr)SC3=CC=CC=C3)F

Isomeric SMILES

CCOC1=C(C=C2C(=C1)[N+](=O)C(=C(N2[O-])CBr)SC3=CC=CC=C3)F

InChI

InChI=1S/C17H14BrFN2O3S/c1-2-24-16-9-14-13(8-12(16)19)20(22)15(10-18)17(21(14)23)25-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3