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

Systemtic Name: 3-(4-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(p-tolyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(4-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(4-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(p-tolyl)-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C23H17F3N2OS MolecularWeight: 426.45409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H17F3N2OS/c1-15-9-11-18(12-10-15)28-21(29)19-7-2-3-8-20(19)27-22(28)30-14-16-5-4-6-17(13-16)23(24,25)26/h2-13H,14H2,1H3