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

Systemtic Name: 3-[4-[bis(fluoranyl)methoxy]phenyl]-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-[4-(difluoromethoxy)phenyl]quinazolin-4-one CAS Name: 3-[4-(difluoromethoxy)phenyl]-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-[4-(difluoromethoxy)phenyl]quinazolin-4-one Traditional Name: 2-(benzylthio)-3-[4-(difluoromethoxy)phenyl]quinazolin-4-one Formula: C22H16F2N2O2S MolecularWeight: 410.436446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16F2N2O2S/c23-21(24)28-17-12-10-16(11-13-17)26-20(27)18-8-4-5-9-19(18)25-22(26)29-14-15-6-2-1-3-7-15/h1-13,21H,14H2