6-chloranyl-3-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-3-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]quinazolin-4-one Openeye Name: 6-chloro-3-(o-tolyl)-2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]quinazolin-4-one CAS Name: 6-chloro-3-(2-methylphenyl)-2-[[[3-(trifluoromethyl)phenyl]thio]methyl]-4-quinazolinone IUPAC Name: 6-chloro-3-(2-methylphenyl)-2-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]quinazolin-4-one Traditional Name: 6-chloro-3-(o-tolyl)-2-[[[3-(trifluoromethyl)phenyl]thio]methyl]quinazolin-4-one Formula: C23H16ClF3N2OS MolecularWeight: 460.89915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)Cl)CSC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)Cl)CSC4=CC=CC(=C4)C(F)(F)F

InChI

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