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

Systemtic Name: 3-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[(4-fluorophenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-fluorobenzyl)-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C22H16FN3O3S MolecularWeight: 421.444143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3O3S/c23-17-9-5-15(6-10-17)13-25-21(27)19-3-1-2-4-20(19)24-22(25)30-14-16-7-11-18(12-8-16)26(28)29/h1-12H,13-14H2