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

Systemtic Name: 3-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Openeye Name: 3-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one CAS Name: 3-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylthio]-4-quinazolinone IUPAC Name: 3-(4-chlorophenyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-chlorophenyl)-2-[[3-(trifluoromethyl)benzyl]thio]quinazolin-4-one Formula: C22H14ClF3N2OS MolecularWeight: 446.87257

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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)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC(=CC=C3)C(F)(F)F)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H14ClF3N2OS/c23-16-8-10-17(11-9-16)28-20(29)18-6-1-2-7-19(18)27-21(28)30-13-14-4-3-5-15(12-14)22(24,25)26/h1-12H,13H2