2-[[2-chloranyl-4,5-bis(fluoranyl)phenyl]methylsulfanyl]-3-phenethyl-quinazolin-4-one

Systemtic Name: 2-[[2-chloranyl-4,5-bis(fluoranyl)phenyl]methylsulfanyl]-3-phenethyl-quinazolin-4-one Openeye Name: 2-[(2-chloro-4,5-difluoro-phenyl)methylsulfanyl]-3-phenethyl-quinazolin-4-one CAS Name: 2-[(2-chloro-4,5-difluorophenyl)methylthio]-3-phenethyl-4-quinazolinone IUPAC Name: 2-[(2-chloro-4,5-difluorophenyl)methylsulfanyl]-3-phenethylquinazolin-4-one Traditional Name: 2-[(2-chloro-4,5-difluoro-benzyl)thio]-3-phenethyl-quinazolin-4-one Formula: C23H17ClF2N2OS MolecularWeight: 442.908686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=C(C=C4Cl)F)F

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=C(C=C4Cl)F)F

InChI

InChI=1S/C23H17ClF2N2OS/c24-18-13-20(26)19(25)12-16(18)14-30-23-27-21-9-5-4-8-17(21)22(29)28(23)11-10-15-6-2-1-3-7-15/h1-9,12-13H,10-11,14H2