2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)benzoate

Systemtic Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)benzoate Openeye Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1H-benzimidazol-3-ium-2-ylthio)methyl]benzoate IUPAC Name: 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1H-benzimidazol-3-ium-2-ylthio)methyl]benzoate Formula: C15H12N2O2S MolecularWeight: 284.33298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=[NH+]C3=CC=CC=C3N2)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=[NH+]C3=CC=CC=C3N2)C(=O)[O-]

InChI

InChI=1S/C15H12N2O2S/c18-14(19)11-6-2-1-5-10(11)9-20-15-16-12-7-3-4-8-13(12)17-15/h1-8H,9H2,(H,16,17)(H,18,19)