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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(4-phenoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(4-phenoxyphenyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(4-phenoxyphenyl)quinazolin-4-one Formula: C27H18ClFN2O2S MolecularWeight: 488.960423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=C(C=CC=C5Cl)F

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=C(C=CC=C5Cl)F

InChI

InChI=1S/C27H18ClFN2O2S/c28-23-10-6-11-24(29)22(23)17-34-27-30-25-12-5-4-9-21(25)26(32)31(27)18-13-15-20(16-14-18)33-19-7-2-1-3-8-19/h1-16H,17H2