2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-(2-morpholino-2-oxo-ethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[(2-keto-2-morpholino-ethyl)thio]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C21H18F3N3O3S MolecularWeight: 449.44613

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1COCCN1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O3S/c22-21(23,24)14-4-3-5-15(12-14)27-19(29)16-6-1-2-7-17(16)25-20(27)31-13-18(28)26-8-10-30-11-9-26/h1-7,12H,8-11,13H2