2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C21H19F3N2O2S MolecularWeight: 420.44797

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H19F3N2O2S/c1-20(2,3)17(27)12-29-19-25-16-10-5-4-9-15(16)18(28)26(19)14-8-6-7-13(11-14)21(22,23)24/h4-11H,12H2,1-3H3