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

Systemtic Name: 3-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-methyl-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-methyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-methyl-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C17H13F3N2OS MolecularWeight: 350.35813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C17H13F3N2OS/c1-22-15(23)13-7-2-3-8-14(13)21-16(22)24-10-11-5-4-6-12(9-11)17(18,19)20/h2-9H,10H2,1H3