2-(4-butylsulfanyl-2-ethoxy-phenyl)-1H-imidazo[4,5-b]pyridine hydrochloride

Systemtic Name: 2-(4-butylsulfanyl-2-ethoxy-phenyl)-1H-imidazo[4,5-b]pyridine hydrochloride Openeye Name: 2-(4-butylsulfanyl-2-ethoxy-phenyl)-1H-imidazo[4,5-b]pyridine hydrochloride CAS Name: 2-[4-(butylthio)-2-ethoxyphenyl]-1H-imidazo[4,5-b]pyridine hydrochloride IUPAC Name: 2-(4-butylsulfanyl-2-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine hydrochloride Traditional Name: 2-[4-(butylthio)-2-ethoxy-phenyl]-1H-imidazo[4,5-b]pyridine hydrochloride Formula: C18H22ClN3OS MolecularWeight: 363.90478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC(=C(C=C1)C2=NC3=C(N2)C=CC=N3)OCC.Cl

Isomeric SMILES

CCCCSC1=CC(=C(C=C1)C2=NC3=C(N2)C=CC=N3)OCC.Cl

InChI

InChI=1S/C18H21N3OS.ClH/c1-3-5-11-23-13-8-9-14(16(12-13)22-4-2)17-20-15-7-6-10-19-18(15)21-17;/h6-10,12H,3-5,11H2,1-2H3,(H,19,20,21);1H