methyl 1-[(2-chloranyl-4-methylsulfanyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate

Systemtic Name: methyl 1-[(2-chloranyl-4-methylsulfanyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate Openeye Name: methyl 1-[(2-chloro-4-methylsulfanyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate CAS Name: 1-[[2-chloro-4-(methylthio)phenyl]methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chloro-4-methylsulfanylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate Traditional Name: 1-[2-chloro-4-(methylthio)benzyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid methyl ester Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=C(C=C(C=C3)SC)Cl)C=CC(=N2)C(=O)OC

Isomeric SMILES

CC1=NC2=C(N1CC3=C(C=C(C=C3)SC)Cl)C=CC(=N2)C(=O)OC

InChI

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