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

Systemtic Name: 4-[(6-bromanyl-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)thio]methyl]benzoic acid Formula: C14H10BrN3O2S MolecularWeight: 364.2171

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC3=NC=C(C=C3N2)Br)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC3=NC=C(C=C3N2)Br)C(=O)O

InChI

InChI=1S/C14H10BrN3O2S/c15-10-5-11-12(16-6-10)18-14(17-11)21-7-8-1-3-9(4-2-8)13(19)20/h1-6H,7H2,(H,19,20)(H,16,17,18)