4-(1H-imidazo[4,5-b]pyridin-4-ium-2-ylsulfanylmethyl)benzoate

Systemtic Name: 4-(1H-imidazo[4,5-b]pyridin-4-ium-2-ylsulfanylmethyl)benzoate Openeye Name: 4-(1H-imidazo[4,5-b]pyridin-4-ium-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1H-imidazo[4,5-b]pyridin-4-ium-2-ylthio)methyl]benzoate IUPAC Name: 4-(1H-imidazo[4,5-b]pyridin-4-ium-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1H-imidazo[4,5-b]pyridin-4-ium-2-ylthio)methyl]benzoate Formula: C14H11N3O2S MolecularWeight: 285.32104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C([NH+]=C1)N=C(N2)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC2=C([NH+]=C1)N=C(N2)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C14H11N3O2S/c18-13(19)10-5-3-9(4-6-10)8-20-14-16-11-2-1-7-15-12(11)17-14/h1-7H,8H2,(H,18,19)(H,15,16,17)