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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[(3-nitrophenyl)methylthio]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[(3-nitrobenzyl)thio]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C22H14F3N3O3S MolecularWeight: 457.42507

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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-])C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H14F3N3O3S/c23-22(24,25)15-6-4-7-16(12-15)27-20(29)18-9-1-2-10-19(18)26-21(27)32-13-14-5-3-8-17(11-14)28(30)31/h1-12H,13H2