3-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-2-chloranyl-7-methoxy-quinoline

Systemtic Name: 3-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-2-chloranyl-7-methoxy-quinoline Openeye Name: 3-[(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-2-chloro-7-methoxy-quinoline CAS Name: 3-[[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-2-chloro-7-methoxyquinoline IUPAC Name: 3-[(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-2-chloro-7-methoxyquinoline Traditional Name: 3-[[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-2-chloro-7-methoxy-quinoline Formula: C20H24ClN3OS MolecularWeight: 389.94206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC2=C(N=C3C=C(C=CC3=C2)OC)Cl)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC2=C(N=C3C=C(C=CC3=C2)OC)Cl)C)C

InChI

InChI=1S/C20H24ClN3OS/c1-5-6-9-24-14(3)13(2)22-20(24)26-12-16-10-15-7-8-17(25-4)11-18(15)23-19(16)21/h7-8,10-11H,5-6,9,12H2,1-4H3