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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3-chloranyl-4-methoxy-phenyl)quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(3-chloro-4-methoxy-phenyl)quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(3-chloro-4-methoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-chloro-4-methoxyphenyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(3-chloro-4-methoxy-phenyl)quinazolin-4-one Formula: C22H15Cl2FN2O2S MolecularWeight: 461.336103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=C(C=CC=C4Cl)F)Cl

InChI

InChI=1S/C22H15Cl2FN2O2S/c1-29-20-10-9-13(11-17(20)24)27-21(28)14-5-2-3-8-19(14)26-22(27)30-12-15-16(23)6-4-7-18(15)25/h2-11H,12H2,1H3