3-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-3-(p-tolylmethyl)quinazolin-4-one CAS Name: 3-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-methylbenzyl)-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C23H19N3O3S MolecularWeight: 417.48026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H19N3O3S/c1-16-6-8-17(9-7-16)14-25-22(27)20-4-2-3-5-21(20)24-23(25)30-15-18-10-12-19(13-11-18)26(28)29/h2-13H,14-15H2,1H3