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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)C(F)(F)F)CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)C(F)(F)F)CCCO

InChI

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