1-(1-adamantyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-[(4,8-dimethyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(4,8-dimethyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(4,8-dimethyl-2-quinolyl)thio]ethanone Formula: C23H27NOS MolecularWeight: 365.53158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H27NOS/c1-14-4-3-5-19-15(2)6-21(24-22(14)19)26-13-20(25)23-10-16-7-17(11-23)9-18(8-16)12-23/h3-6,16-18H,7-13H2,1-2H3