2-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-(2H-1,2,3,4-tetrazol-5-ylmethylsulfanyl)-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(2H-tetrazol-5-ylmethylsulfanyl)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-(2H-tetrazol-5-ylmethylthio)-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-(2H-tetrazol-5-ylmethylsulfanyl)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-(2H-tetrazol-5-ylmethylthio)-3H-benzimidazole-5-sulfonic acid Formula: C9H8N6O3S2 MolecularWeight: 312.32822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)SCC3=NNN=N3

Isomeric SMILES

C1=CC2=C(C=C1S(=O)(=O)O)NC(=N2)SCC3=NNN=N3

InChI

InChI=1S/C9H8N6O3S2/c16-20(17,18)5-1-2-6-7(3-5)11-9(10-6)19-4-8-12-14-15-13-8/h1-3H,4H2,(H,10,11)(H,16,17,18)(H,12,13,14,15)