1-(1,3-benzodioxol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,8-dimethyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4,8-dimethylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[(4,8-dimethyl-2-quinolyl)thio]ethanone Formula: C20H17NO3S MolecularWeight: 351.41888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H17NO3S/c1-12-4-3-5-15-13(2)8-19(21-20(12)15)25-10-16(22)14-6-7-17-18(9-14)24-11-23-17/h3-9H,10-11H2,1-2H3