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

Systemtic Name: 3-[(4-nitrophenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-[(4-nitrophenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-[(4-nitrophenyl)methyl]-2-[(4-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-[(4-nitrophenyl)methyl]-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(4-nitrobenzyl)-2-[(4-nitrobenzyl)thio]quinazolin-4-one Formula: C22H16N4O5S MolecularWeight: 448.45124

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O5S/c27-21-19-3-1-2-4-20(19)23-22(32-14-16-7-11-18(12-8-16)26(30)31)24(21)13-15-5-9-17(10-6-15)25(28)29/h1-12H,13-14H2