3-(bromomethyl)-6-chloranyl-4-oxidanidyl-2-phenylsulfanyl-quinoxalin-1-ium 1-oxide

Systemtic Name: 3-(bromomethyl)-6-chloranyl-4-oxidanidyl-2-phenylsulfanyl-quinoxalin-1-ium 1-oxide Openeye Name: 3-(bromomethyl)-6-chloro-4-oxido-2-phenylsulfanyl-quinoxalin-1-ium 1-oxide CAS Name: 3-(bromomethyl)-6-chloro-4-oxido-2-(phenylthio)quinoxalin-1-ium 1-oxide IUPAC Name: 3-(bromomethyl)-6-chloro-4-oxido-2-phenylsulfanylquinoxalin-1-ium 1-oxide Traditional Name: 3-(bromomethyl)-6-chloro-4-oxido-2-(phenylthio)quinoxalin-1-ium 1-oxide Formula: C15H10BrClN2O2S MolecularWeight: 397.6741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(N(C3=C([N+]2=O)C=CC(=C3)Cl)[O-])CBr

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(N(C3=C([N+]2=O)C=CC(=C3)Cl)[O-])CBr

InChI

InChI=1S/C15H10BrClN2O2S/c16-9-14-15(22-11-4-2-1-3-5-11)19(21)12-7-6-10(17)8-13(12)18(14)20/h1-8H,9H2