2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Openeye Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid CAS Name: 2-[[(6-chloro-1H-benzimidazol-2-yl)thio]methyl]-3H-benzimidazole-5-carboxylic acid IUPAC Name: 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-3H-benzimidazole-5-carboxylic acid Traditional Name: 2-[[(6-chloro-1H-benzimidazol-2-yl)thio]methyl]-3H-benzimidazole-5-carboxylic acid Formula: C16H11ClN4O2S MolecularWeight: 358.80214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)NC(=N2)CSC3=NC4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)NC(=N2)CSC3=NC4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C16H11ClN4O2S/c17-9-2-4-11-13(6-9)21-16(20-11)24-7-14-18-10-3-1-8(15(22)23)5-12(10)19-14/h1-6H,7H2,(H,18,19)(H,20,21)(H,22,23)