4-[sulfanyl-(4,6,8-trimethylquinolin-2-yl)methyl]-1H-quinolin-2-one

Systemtic Name: 4-[sulfanyl-(4,6,8-trimethylquinolin-2-yl)methyl]-1H-quinolin-2-one Openeye Name: 4-[sulfanyl-(4,6,8-trimethyl-2-quinolyl)methyl]-1H-quinolin-2-one CAS Name: 4-[mercapto-(4,6,8-trimethyl-2-quinolinyl)methyl]-1H-quinolin-2-one IUPAC Name: 4-[sulfanyl-(4,6,8-trimethylquinolin-2-yl)methyl]-1H-quinolin-2-one Traditional Name: 4-[mercapto-(4,6,8-trimethyl-2-quinolyl)methyl]carbostyril Formula: C22H20N2OS MolecularWeight: 360.472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C(C3=CC(=O)NC4=CC=CC=C43)S)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C(C3=CC(=O)NC4=CC=CC=C43)S)C)C

InChI

InChI=1S/C22H20N2OS/c1-12-8-14(3)21-16(9-12)13(2)10-19(24-21)22(26)17-11-20(25)23-18-7-5-4-6-15(17)18/h4-11,22,26H,1-3H3,(H,23,25)