2-[(4-bromophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-3-(3,5-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(3,5-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-3-(3,5-dimethylphenyl)quinazolin-4-one Formula: C23H19BrN2OS MolecularWeight: 451.37876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2OS/c1-15-11-16(2)13-19(12-15)26-22(27)20-5-3-4-6-21(20)25-23(26)28-14-17-7-9-18(24)10-8-17/h3-13H,14H2,1-2H3