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

Systemtic Name: methyl 3-[(2-chloranyl-4-methylsulfanyl-phenyl)methyl]-2,7-dimethyl-imidazo[4,5-b]pyridine-5-carboxylate Openeye Name: methyl 3-[(2-chloro-4-methylsulfanyl-phenyl)methyl]-2,7-dimethyl-imidazo[4,5-b]pyridine-5-carboxylate CAS Name: 3-[[2-chloro-4-(methylthio)phenyl]methyl]-2,7-dimethyl-5-imidazo[4,5-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-4-methylsulfanylphenyl)methyl]-2,7-dimethylimidazo[4,5-b]pyridine-5-carboxylate Traditional Name: 3-[2-chloro-4-(methylthio)benzyl]-2,7-dimethyl-imidazo[4,5-b]pyridine-5-carboxylic acid methyl ester Formula: C18H18ClN3O2S MolecularWeight: 375.87242

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O2S/c1-10-7-15(18(23)24-3)21-17-16(10)20-11(2)22(17)9-12-5-6-13(25-4)8-14(12)19/h5-8H,9H2,1-4H3