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

Systemtic Name: 2-(pyridin-2-ylmethylsulfanyl)-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(2-pyridylmethylsulfanyl)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-(2-pyridinylmethylthio)-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-(pyridin-2-ylmethylsulfanyl)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-(2-pyridylmethylthio)-3H-benzimidazole-5-sulfonic acid Formula: C13H11N3O3S2 MolecularWeight: 321.37474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CSC2=NC3=C(N2)C=C(C=C3)S(=O)(=O)O

InChI

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