3-(3-oxidanylpropyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(3-oxidanylpropyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[[2-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[[2-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C19H17F3N2O2S MolecularWeight: 394.41069

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C(F)(F)F

InChI

InChI=1S/C19H17F3N2O2S/c20-19(21,22)15-8-3-1-6-13(15)12-27-18-23-16-9-4-2-7-14(16)17(26)24(18)10-5-11-25/h1-4,6-9,25H,5,10-12H2