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

Systemtic Name: 3-[(2-chloranyl-4-ethylsulfanyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[(2-chloro-4-ethylsulfanyl-phenyl)methyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[[2-chloro-4-(ethylthio)phenyl]methyl]-2-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[(2-chloro-4-ethylsulfanylphenyl)methyl]-2-methylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-[2-chloro-4-(ethylthio)benzyl]-2-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)O)C)Cl

Isomeric SMILES

CCSC1=CC(=C(C=C1)CN2C(=NC3=C2N=C(C=C3)C(=O)O)C)Cl

InChI

InChI=1S/C17H16ClN3O2S/c1-3-24-12-5-4-11(13(18)8-12)9-21-10(2)19-14-6-7-15(17(22)23)20-16(14)21/h4-8H,3,9H2,1-2H3,(H,22,23)