3-[(2-chloranyl-4-methylsulfanyl-phenyl)methyl]-2,7-dimethyl-imidazo[4,5-b]pyridine-5-carboxylic acid

Systemtic Name: 3-[(2-chloranyl-4-methylsulfanyl-phenyl)methyl]-2,7-dimethyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-methylsulfanyl-phenyl)methyl]-2,7-dimethyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[[2-chloro-4-(methylthio)phenyl]methyl]-2,7-dimethyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-4-methylsulfanylphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-[2-chloro-4-(methylthio)benzyl]-2,7-dimethyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1N=C(N2CC3=C(C=C(C=C3)SC)Cl)C)C(=O)O

Isomeric SMILES

CC1=CC(=NC2=C1N=C(N2CC3=C(C=C(C=C3)SC)Cl)C)C(=O)O

InChI

InChI=1S/C17H16ClN3O2S/c1-9-6-14(17(22)23)20-16-15(9)19-10(2)21(16)8-11-4-5-12(24-3)7-13(11)18/h4-7H,8H2,1-3H3,(H,22,23)