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

Systemtic Name: 2-[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[[2-keto-2-[3-(trifluoromethyl)phenyl]ethyl]thio]quinazolin-4-one Formula: C20H17F3N2O3S MolecularWeight: 422.42079

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC(=CC=C3)C(F)(F)F)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)C3=CC(=CC=C3)C(F)(F)F)CCCO

InChI

InChI=1S/C20H17F3N2O3S/c21-20(22,23)14-6-3-5-13(11-14)17(27)12-29-19-24-16-8-2-1-7-15(16)18(28)25(19)9-4-10-26/h1-3,5-8,11,26H,4,9-10,12H2