3-[2,4-bis(fluoranyl)phenyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(2,4-difluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(2,4-difluorophenyl)-2-[(3-nitrophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(2,4-difluorophenyl)-2-[(3-nitrophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(2,4-difluorophenyl)-2-[(3-nitrobenzyl)thio]quinazolin-4-one Formula: C21H13F2N3O3S MolecularWeight: 425.408026

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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=C(C=C(C=C4)F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H13F2N3O3S/c22-14-8-9-19(17(23)11-14)25-20(27)16-6-1-2-7-18(16)24-21(25)30-12-13-4-3-5-15(10-13)26(28)29/h1-11H,12H2