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

Systemtic Name: 2,3-bis(1H-benzimidazol-2-ylsulfanylmethyl)-4-oxidanidyl-2,3-dihydroquinoxalin-1-ium 1-oxide Openeye Name: 2,3-bis(1H-benzimidazol-2-ylsulfanylmethyl)-4-oxido-2,3-dihydroquinoxalin-1-ium 1-oxide CAS Name: 2,3-bis[(1H-benzimidazol-2-ylthio)methyl]-4-oxido-2,3-dihydroquinoxalin-1-ium 1-oxide IUPAC Name: 2,3-bis(1H-benzimidazol-2-ylsulfanylmethyl)-4-oxido-2,3-dihydroquinoxalin-1-ium 1-oxide Traditional Name: 2,3-bis[(1H-benzimidazol-2-ylthio)methyl]-4-oxido-2,3-dihydroquinoxalin-1-ium 1-oxide Formula: C24H20N6O2S2 MolecularWeight: 488.5846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3C([N+](=O)C4=CC=CC=C4N3[O-])CSC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3C([N+](=O)C4=CC=CC=C4N3[O-])CSC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C24H20N6O2S2/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/h1-12,21-22H,13-14H2,(H,25,26)(H,27,28)