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

Systemtic Name: 1-(1-adamantyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanone CAS Name: 1-(1-adamantyl)-2-[(2-methyl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(2-methylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(2-methylquinazolin-4-yl)thio]ethanone Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H24N2OS/c1-13-22-18-5-3-2-4-17(18)20(23-13)25-12-19(24)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-12H2,1H3