1-(1-adamantyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-(4-methylquinolin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-[(4-methyl-2-quinolyl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[(4-methyl-2-quinolinyl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(4-methylquinolin-2-yl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(4-methyl-2-quinolyl)thio]ethanone Formula: C22H25NOS MolecularWeight: 351.505

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25NOS/c1-14-6-21(23-19-5-3-2-4-18(14)19)25-13-20(24)22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,15-17H,7-13H2,1H3