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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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