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

Systemtic Name: 3-[(2-chloranyl-4-pentylsulfanyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-pentylsulfanyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[[2-chloro-4-(pentylthio)phenyl]methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-4-pentylsulfanylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-[4-(amylthio)-2-chloro-benzyl]-2-methyl-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)CN2C(=NC3=C2N=C(C=C3)C(=O)O)C)Cl

Isomeric SMILES

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

InChI

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