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

Systemtic Name: 7-chloranyl-3-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(o-tolyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-(o-tolyl)-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C23H16ClF3N2OS MolecularWeight: 460.89915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H16ClF3N2OS/c1-14-5-2-3-8-20(14)29-21(30)18-10-9-17(24)12-19(18)28-22(29)31-13-15-6-4-7-16(11-15)23(25,26)27/h2-12H,13H2,1H3