zinc 2-(1H-benzimidazol-2-ylmethylsulfanylmethyl)-1H-benzimidazole diiodide

Systemtic Name: zinc 2-(1H-benzimidazol-2-ylmethylsulfanylmethyl)-1H-benzimidazole diiodide Openeye Name: zinc 2-(1H-benzimidazol-2-ylmethylsulfanylmethyl)-1H-benzimidazole diiodide CAS Name: zinc 2-[(1H-benzimidazol-2-ylmethylthio)methyl]-1H-benzimidazole diiodide IUPAC Name: zinc 2-(1H-benzimidazol-2-ylmethylsulfanylmethyl)-1H-benzimidazole diiodide Traditional Name: zinc 2-[(1H-benzimidazol-2-ylmethylthio)methyl]-1H-benzimidazole diiodide Formula: C16H14I2N4SZn MolecularWeight: 613.5921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSCC3=NC4=CC=CC=C4N3.[Zn+2].[I-].[I-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSCC3=NC4=CC=CC=C4N3.[Zn+2].[I-].[I-]

InChI

InChI=1S/C16H14N4S.2HI.Zn/c1-2-6-12-11(5-1)17-15(18-12)9-21-10-16-19-13-7-3-4-8-14(13)20-16;;;/h1-8H,9-10H2,(H,17,18)(H,19,20);2*1H;/q;;;+2/p-2