2-[[3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[3-(1-naphthylmethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[3-(1-naphthalenylmethyl)-2-imidazo[4,5-b]pyridinyl]thio]methyl]benzoic acid IUPAC Name: 2-[[3-(naphthalen-1-ylmethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[3-(1-naphthylmethyl)imidazo[4,5-b]pyridin-2-yl]thio]methyl]benzoic acid Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C4=C(C=CC=N4)N=C3SCC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN3C4=C(C=CC=N4)N=C3SCC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C25H19N3O2S/c29-24(30)21-12-4-2-8-19(21)16-31-25-27-22-13-6-14-26-23(22)28(25)15-18-10-5-9-17-7-1-3-11-20(17)18/h1-14H,15-16H2,(H,29,30)