2-(1H-benzimidazol-2-ylmethylsulfanylmethyl)-1H-benzimidazole; benzoic acid; zinc

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanylmethyl)-1H-benzimidazole; benzoic acid; zinc Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanylmethyl)-1H-benzimidazole; benzoic acid; zinc CAS Name: 2-[(1H-benzimidazol-2-ylmethylthio)methyl]-1H-benzimidazole; benzoic acid; zinc IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanylmethyl)-1H-benzimidazole; benzoic acid; zinc Traditional Name: 2-[(1H-benzimidazol-2-ylmethylthio)methyl]-1H-benzimidazole; benzoic acid; zinc Formula: C30H26N4O4SZn MolecularWeight: 604.02584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C2C(=C1)NC(=N2)CSCC3=NC4=CC=CC=C4N3.[Zn]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C2C(=C1)NC(=N2)CSCC3=NC4=CC=CC=C4N3.[Zn]

InChI

InChI=1S/C16H14N4S.2C7H6O2.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;2*8-7(9)6-4-2-1-3-5-6;/h1-8H,9-10H2,(H,17,18)(H,19,20);2*1-5H,(H,8,9);