3-(3-chloranyl-4-fluoranyl-phenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-4-fluorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-fluorophenyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C20H18ClFN2O2S MolecularWeight: 404.885523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClFN2O2S/c1-20(2,3)17(25)11-27-19-23-16-7-5-4-6-13(16)18(26)24(19)12-8-9-15(22)14(21)10-12/h4-10H,11H2,1-3H3