2,3-bis(1H-benzimidazol-2-ylsulfanylmethyl)-1,4-bis(oxidanyl)quinoxaline dihydrobromide

Systemtic Name: 2,3-bis(1H-benzimidazol-2-ylsulfanylmethyl)-1,4-bis(oxidanyl)quinoxaline dihydrobromide Openeye Name: 2,3-bis(1H-benzimidazol-2-ylsulfanylmethyl)-1,4-dihydroxy-quinoxaline dihydrobromide CAS Name: 2,3-bis[(1H-benzimidazol-2-ylthio)methyl]-1,4-dihydroxyquinoxaline dihydrobromide IUPAC Name: 2,3-bis(1H-benzimidazol-2-ylsulfanylmethyl)-1,4-dihydroxyquinoxaline dihydrobromide Traditional Name: 2,3-bis[(1H-benzimidazol-2-ylthio)methyl]-1,4-dihydroxy-quinoxaline dihydrobromide Formula: C24H22Br2N6O2S2 MolecularWeight: 650.40848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=C(N(C4=CC=CC=C4N3O)O)CSC5=NC6=CC=CC=C6N5.Br.Br

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=C(N(C4=CC=CC=C4N3O)O)CSC5=NC6=CC=CC=C6N5.Br.Br

InChI

InChI=1S/C24H20N6O2S2.2BrH/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;;/h1-12,31-32H,13-14H2,(H,25,26)(H,27,28);2*1H