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

Systemtic Name: 3-[2,4-bis(fluoranyl)phenyl]-2-[(4-bromophenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one CAS Name: 2-[(4-bromophenyl)methylthio]-3-(2,4-difluorophenyl)-4-quinazolinone IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-3-(2,4-difluorophenyl)quinazolin-4-one Traditional Name: 2-[(4-bromobenzyl)thio]-3-(2,4-difluorophenyl)quinazolin-4-one Formula: C21H13BrF2N2OS MolecularWeight: 459.306526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Br)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)Br)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H13BrF2N2OS/c22-14-7-5-13(6-8-14)12-28-21-25-18-4-2-1-3-16(18)20(27)26(21)19-10-9-15(23)11-17(19)24/h1-11H,12H2