2-(pyridin-2-ylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-(pyridin-2-ylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(2-pyridylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-[(2-pyridinylthio)methyl]-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-(pyridin-2-ylsulfanylmethyl)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-[(2-pyridylthio)methyl]-3H-benzimidazole-5-sulfonic acid Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC=NC(=C1)SCC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C13H11N3O3S2/c17-21(18,19)9-4-5-10-11(7-9)16-12(15-10)8-20-13-3-1-2-6-14-13/h1-7H,8H2,(H,15,16)(H,17,18,19)