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

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chloro-4-fluorophenyl)-2-[(2-chloro-6-fluorophenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-fluorophenyl)-2-[(2-chloro-6-fluorophenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(3-chloro-4-fluoro-phenyl)quinazolin-4-one Formula: C21H12Cl2F2N2OS MolecularWeight: 449.300586

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H12Cl2F2N2OS/c22-15-5-3-6-17(24)14(15)11-29-21-26-19-7-2-1-4-13(19)20(28)27(21)12-8-9-18(25)16(23)10-12/h1-10H,11H2