2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(4-fluorophenyl)-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(4-fluorophenyl)quinazolin-4-one Formula: C21H13ClF2N2OS MolecularWeight: 414.855526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=C(C=CC=C3Cl)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H13ClF2N2OS/c22-17-5-3-6-18(24)16(17)12-28-21-25-19-7-2-1-4-15(19)20(27)26(21)14-10-8-13(23)9-11-14/h1-11H,12H2