2-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(4,6,8-trimethyl-2-quinolyl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(4,6,8-trimethyl-2-quinolinyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(4,6,8-trimethyl-2-quinolyl)thio]methyl]-1H-quinazolin-4-one Formula: C21H19N3OS MolecularWeight: 361.46006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC3=NC(=O)C4=CC=CC=C4N3)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC3=NC(=O)C4=CC=CC=C4N3)C)C

InChI

InChI=1S/C21H19N3OS/c1-12-8-14(3)20-16(9-12)13(2)10-19(24-20)26-11-18-22-17-7-5-4-6-15(17)21(25)23-18/h4-10H,11H2,1-3H3,(H,22,23,25)