4-[(6-bromanyl-5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=N1)N=C(N2)SCC3=CC=C(C=C3)C(=O)O)Br

Isomeric SMILES

CC1=C(C=C2C(=N1)N=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)