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

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(3,4-difluorophenyl)quinazolin-4-one CAS Name: 3-(3,4-difluorophenyl)-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(3,4-difluorophenyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(3,4-difluorophenyl)quinazolin-4-one Formula: C21H14F2N2OS MolecularWeight: 380.410466

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C21H14F2N2OS/c22-17-11-10-15(12-18(17)23)25-20(26)16-8-4-5-9-19(16)24-21(25)27-13-14-6-2-1-3-7-14/h1-12H,13H2