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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N(C(=C([N+]2=O)SC3=CC=CC=C3)CBr)[O-])F

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N(C(=C([N+]2=O)SC3=CC=CC=C3)CBr)[O-])F

InChI

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