2-[(6-bromanyl-1H-benzimidazol-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole

Systemtic Name: 2-[(6-bromanyl-1H-benzimidazol-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole Openeye Name: 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole CAS Name: 2-[[(6-bromo-1H-benzimidazol-2-yl)thio]methyl]-6-nitro-1H-benzimidazole IUPAC Name: 2-[(6-bromo-1H-benzimidazol-2-yl)sulfanylmethyl]-6-nitro-1H-benzimidazole Traditional Name: 2-[[(6-bromo-1H-benzimidazol-2-yl)thio]methyl]-6-nitro-1H-benzimidazole Formula: C15H10BrN5O2S MolecularWeight: 404.2412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CSC3=NC4=C(N3)C=C(C=C4)Br

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)CSC3=NC4=C(N3)C=C(C=C4)Br

InChI

InChI=1S/C15H10BrN5O2S/c16-8-1-3-11-12(5-8)20-15(19-11)24-7-14-17-10-4-2-9(21(22)23)6-13(10)18-14/h1-6H,7H2,(H,17,18)(H,19,20)