7-[(2-chloranyl-4-pentylsulfanyl-phenyl)methyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid

Systemtic Name: 7-[(2-chloranyl-4-pentylsulfanyl-phenyl)methyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 7-[(2-chloro-4-pentylsulfanyl-phenyl)methyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 7-[[2-chloro-4-(pentylthio)phenyl]methyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid IUPAC Name: 7-[(2-chloro-4-pentylsulfanylphenyl)methyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 7-[4-(amylthio)-2-chloro-benzyl]-2-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C20H22ClN3O2S MolecularWeight: 403.92558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=CC(=C(C=C1)CC2=CC(=NC3=C2NC(=N3)C)C(=O)O)Cl

Isomeric SMILES

CCCCCSC1=CC(=C(C=C1)CC2=CC(=NC3=C2NC(=N3)C)C(=O)O)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-3-4-5-8-27-15-7-6-13(16(21)11-15)9-14-10-17(20(25)26)24-19-18(14)22-12(2)23-19/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,25,26)(H,22,23,24)