2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloranyl-benzoic acid

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloranyl-benzoic acid Openeye Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-benzoic acid CAS Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-5-chlorobenzoic acid IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chlorobenzoic acid Traditional Name: 2-[(1H-benzimidazol-2-ylthio)methyl]-5-chloro-benzoic acid Formula: C15H11ClN2O2S MolecularWeight: 318.77804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCC3=C(C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCC3=C(C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C15H11ClN2O2S/c16-10-6-5-9(11(7-10)14(19)20)8-21-15-17-12-3-1-2-4-13(12)18-15/h1-7H,8H2,(H,17,18)(H,19,20)