2,3-bis[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanidyl-quinoxalin-1-ium 1-oxide

Systemtic Name: 2,3-bis[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanidyl-quinoxalin-1-ium 1-oxide Openeye Name: 2,3-bis[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxido-quinoxalin-1-ium 1-oxide CAS Name: 2,3-bis[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-4-oxidoquinoxalin-1-ium 1-oxide IUPAC Name: 2,3-bis[(6-ethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidoquinoxalin-1-ium 1-oxide Traditional Name: 2,3-bis[[(6-ethoxy-1H-benzimidazol-2-yl)thio]methyl]-4-oxido-quinoxalin-1-ium 1-oxide Formula: C28H26N6O4S2 MolecularWeight: 574.67384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C([N+](=O)C4=CC=CC=C4N3[O-])CSC5=NC6=C(N5)C=C(C=C6)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC3=C([N+](=O)C4=CC=CC=C4N3[O-])CSC5=NC6=C(N5)C=C(C=C6)OCC

InChI

InChI=1S/C28H26N6O4S2/c1-3-37-17-9-11-19-21(13-17)31-27(29-19)39-15-25-26(34(36)24-8-6-5-7-23(24)33(25)35)16-40-28-30-20-12-10-18(38-4-2)14-22(20)32-28/h5-14H,3-4,15-16H2,1-2H3,(H,29,31)(H,30,32)