1-(2,5-dimethoxyphenyl)-2-(3,7-dimethylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethoxyphenyl)-2-(3,7-dimethylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethoxyphenyl)-2-[(3,7-dimethyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(2,5-dimethoxyphenyl)-2-[(3,7-dimethyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(2,5-dimethoxyphenyl)-2-(3,7-dimethylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethoxyphenyl)-2-[(3,7-dimethyl-2-quinolyl)thio]ethanone Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H21NO3S/c1-13-5-6-15-10-14(2)21(22-18(15)9-13)26-12-19(23)17-11-16(24-3)7-8-20(17)25-4/h5-11H,12H2,1-4H3