3-[2,5-bis(trifluoromethyl)phenyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one Openeye Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-quinazolin-4-one CAS Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-quinazolinone IUPAC Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one Traditional Name: 3-[2,5-bis(trifluoromethyl)phenyl]-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C22H18F6N2O2S MolecularWeight: 488.445939

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18F6N2O2S/c1-20(2,3)17(31)11-33-19-29-15-7-5-4-6-13(15)18(32)30(19)16-10-12(21(23,24)25)8-9-14(16)22(26,27)28/h4-10H,11H2,1-3H3