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

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3,4-dimethoxyphenyl)quinazolin-4-one Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(3,4-dimethoxyphenyl)quinazolin-4-one CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(3,4-dimethoxyphenyl)-4-quinazolinone IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3,4-dimethoxyphenyl)quinazolin-4-one Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-3-(3,4-dimethoxyphenyl)quinazolin-4-one Formula: C23H18ClFN2O3S MolecularWeight: 456.917023

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClFN2O3S/c1-29-20-11-10-14(12-21(20)30-2)27-22(28)15-6-3-4-9-19(15)26-23(27)31-13-16-17(24)7-5-8-18(16)25/h3-12H,13H2,1-2H3