2-[4-[(7-methyl-2-methylsulfanyl-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(7-methyl-2-methylsulfanyl-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(7-methyl-2-methylsulfanyl-imidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[[7-methyl-2-(methylthio)-3-imidazo[4,5-b]pyridinyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(7-methyl-2-methylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[7-methyl-2-(methylthio)imidazo[4,5-b]pyridin-3-yl]methyl]phenyl]benzoic acid Formula: C22H19N3O2S MolecularWeight: 389.47016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC=C1)N(C(=N2)SC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

Isomeric SMILES

CC1=C2C(=NC=C1)N(C(=N2)SC)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O

InChI

InChI=1S/C22H19N3O2S/c1-14-11-12-23-20-19(14)24-22(28-2)25(20)13-15-7-9-16(10-8-15)17-5-3-4-6-18(17)21(26)27/h3-12H,13H2,1-2H3,(H,26,27)