6-bromanyl-3-(3-methylphenyl)-2-phenacylsulfanyl-quinazolin-4-one

Systemtic Name: 6-bromanyl-3-(3-methylphenyl)-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 6-bromo-3-(m-tolyl)-2-phenacylsulfanyl-quinazolin-4-one CAS Name: 6-bromo-3-(3-methylphenyl)-2-(phenacylthio)-4-quinazolinone IUPAC Name: 6-bromo-3-(3-methylphenyl)-2-phenacylsulfanylquinazolin-4-one Traditional Name: 6-bromo-3-(m-tolyl)-2-(phenacylthio)quinazolin-4-one Formula: C23H17BrN2O2S MolecularWeight: 465.36228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)C3=C(C=CC(=C3)Br)N=C2SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H17BrN2O2S/c1-15-6-5-9-18(12-15)26-22(28)19-13-17(24)10-11-20(19)25-23(26)29-14-21(27)16-7-3-2-4-8-16/h2-13H,14H2,1H3