4-[(6-bromanyl-5-methyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)sulfanylmethyl]benzoate

Systemtic Name: 4-[(6-bromanyl-5-methyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)thio]methyl]benzoate IUPAC Name: 4-[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(6-bromo-5-methyl-1H-imidazo[4,5-b]pyridin-3-ium-2-yl)thio]methyl]benzoate Formula: C15H12BrN3O2S MolecularWeight: 378.24368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=N1)[NH+]=C(N2)SCC3=CC=C(C=C3)C(=O)[O-])Br

Isomeric SMILES

CC1=C(C=C2C(=N1)[NH+]=C(N2)SCC3=CC=C(C=C3)C(=O)[O-])Br

InChI

InChI=1S/C15H12BrN3O2S/c1-8-11(16)6-12-13(17-8)19-15(18-12)22-7-9-2-4-10(5-3-9)14(20)21/h2-6H,7H2,1H3,(H,20,21)(H,17,18,19)