2-(1H-benzimidazol-2-ylsulfanylmethyl)-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-3H-benzimidazole-5-carboxylic acid Formula: C16H12N4O2S MolecularWeight: 324.35708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=NC4=C(N3)C=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=NC4=C(N3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C16H12N4O2S/c21-15(22)9-5-6-12-13(7-9)18-14(17-12)8-23-16-19-10-3-1-2-4-11(10)20-16/h1-7H,8H2,(H,17,18)(H,19,20)(H,21,22)