2,3-bis(1H-benzimidazol-2-ylsulfanylmethyl)-4-oxidanidyl-quinoxalin-1-ium 1-oxide dihydrobromide

Systemtic Name: 2,3-bis(1H-benzimidazol-2-ylsulfanylmethyl)-4-oxidanidyl-quinoxalin-1-ium 1-oxide dihydrobromide Openeye Name: 2,3-bis(1H-benzimidazol-2-ylsulfanylmethyl)-4-oxido-quinoxalin-1-ium 1-oxide dihydrobromide CAS Name: 2,3-bis[(1H-benzimidazol-2-ylthio)methyl]-4-oxidoquinoxalin-1-ium 1-oxide dihydrobromide IUPAC Name: 2,3-bis(1H-benzimidazol-2-ylsulfanylmethyl)-4-oxidoquinoxalin-1-ium 1-oxide dihydrobromide Traditional Name: 2,3-bis[(1H-benzimidazol-2-ylthio)methyl]-4-oxido-quinoxalin-1-ium 1-oxide dihydrobromide Formula: C24H20Br2N6O2S2 MolecularWeight: 648.3926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=C([N+](=O)C4=CC=CC=C4N3[O-])CSC5=NC6=CC=CC=C6N5.Br.Br

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=C([N+](=O)C4=CC=CC=C4N3[O-])CSC5=NC6=CC=CC=C6N5.Br.Br

InChI

InChI=1S/C24H18N6O2S2.2BrH/c31-29-19-11-5-6-12-20(19)30(32)22(14-34-24-27-17-9-3-4-10-18(17)28-24)21(29)13-33-23-25-15-7-1-2-8-16(15)26-23;;/h1-12H,13-14H2,(H,25,26)(H,27,28);2*1H