3-(4-methylphenyl)-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-methylphenyl)-2-[(3-oxidanylidenebenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]-3-(p-tolyl)quinazolin-4-one CAS Name: 3-(4-methylphenyl)-2-[(3-oxo-1-benzo[f][1]benzopyranyl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-methylphenyl)-2-[(3-oxobenzo[f]chromen-1-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(3-ketobenzo[f]chromen-1-yl)methylthio]-3-(p-tolyl)quinazolin-4-one Formula: C29H20N2O3S MolecularWeight: 476.5457

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C6=CC=CC=C6C=C5

InChI

InChI=1S/C29H20N2O3S/c1-18-10-13-21(14-11-18)31-28(33)23-8-4-5-9-24(23)30-29(31)35-17-20-16-26(32)34-25-15-12-19-6-2-3-7-22(19)27(20)25/h2-16H,17H2,1H3