methyl 1-[(2-chloranyl-4-pentylsulfanyl-phenyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate

Systemtic Name: methyl 1-[(2-chloranyl-4-pentylsulfanyl-phenyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate Openeye Name: methyl 1-[(2-chloro-4-pentylsulfanyl-phenyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate CAS Name: 1-[[2-chloro-4-(pentylthio)phenyl]methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chloro-4-pentylsulfanylphenyl)methyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylate Traditional Name: 1-[4-(amylthio)-2-chloro-benzyl]-2-methyl-2,3-dihydroimidazo[4,5-b]pyridine-5-carboxylic acid methyl ester Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC(=C(C=C1)CN2C(NC3=C2C=CC(=N3)C(=O)OC)C)Cl

Isomeric SMILES

CCCCCSC1=CC(=C(C=C1)CN2C(NC3=C2C=CC(=N3)C(=O)OC)C)Cl

InChI

InChI=1S/C21H26ClN3O2S/c1-4-5-6-11-28-16-8-7-15(17(22)12-16)13-25-14(2)23-20-19(25)10-9-18(24-20)21(26)27-3/h7-10,12,14H,4-6,11,13H2,1-3H3,(H,23,24)