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

Systemtic Name: methyl 3-[(2-chloranyl-4-pentylsulfanyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate Openeye Name: methyl 3-[(2-chloro-4-pentylsulfanyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylate CAS Name: 3-[[2-chloro-4-(pentylthio)phenyl]methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-4-pentylsulfanylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylate Traditional Name: 3-[4-(amylthio)-2-chloro-benzyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid methyl ester Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)OC)C)Cl

Isomeric SMILES

CCCCCSC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)OC)C)Cl

InChI

InChI=1S/C21H24ClN3O2S/c1-4-5-6-11-28-16-8-7-15(17(22)12-16)13-25-14(2)23-18-9-10-19(21(26)27-3)24-20(18)25/h7-10,12H,4-6,11,13H2,1-3H3