2-(1H-benzimidazol-2-ylmethylsulfanyl)-3H-benzimidazole-5-sulfonic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3H-benzimidazole-5-sulfonic acid Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3H-benzimidazole-5-sulfonic acid CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3H-benzimidazole-5-sulfonic acid IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3H-benzimidazole-5-sulfonic acid Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3H-benzimidazole-5-sulfonic acid Formula: C15H12N4O3S2 MolecularWeight: 360.41078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=C(N3)C=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C15H12N4O3S2/c20-24(21,22)9-5-6-12-13(7-9)19-15(18-12)23-8-14-16-10-3-1-2-4-11(10)17-14/h1-7H,8H2,(H,16,17)(H,18,19)(H,20,21,22)