2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(3,5-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(3,5-dimethylphenyl)quinazolin-4-one Formula: C23H18ClFN2OS MolecularWeight: 424.918223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F)C

InChI

InChI=1S/C23H18ClFN2OS/c1-14-10-15(2)12-16(11-14)27-22(28)17-6-3-4-9-21(17)26-23(27)29-13-18-19(24)7-5-8-20(18)25/h3-12H,13H2,1-2H3