3-[(2-chloranyl-4-methylsulfanyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid

Systemtic Name: 3-[(2-chloranyl-4-methylsulfanyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-methylsulfanyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[[2-chloro-4-(methylthio)phenyl]methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-4-methylsulfanylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-[2-chloro-4-(methylthio)benzyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C16H14ClN3O2S MolecularWeight: 347.81926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=C(C=C(C=C3)SC)Cl)N=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1CC3=C(C=C(C=C3)SC)Cl)N=C(C=C2)C(=O)O

InChI

InChI=1S/C16H14ClN3O2S/c1-9-18-13-5-6-14(16(21)22)19-15(13)20(9)8-10-3-4-11(23-2)7-12(10)17/h3-7H,8H2,1-2H3,(H,21,22)