3-(3-chloranyl-4-fluoranyl-phenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-(3-pyridylmethylsulfanyl)quinazolin-4-one CAS Name: 3-(3-chloro-4-fluorophenyl)-2-(3-pyridinylmethylthio)-4-quinazolinone IUPAC Name: 3-(3-chloro-4-fluorophenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-(3-pyridylmethylthio)quinazolin-4-one Formula: C20H13ClFN3OS MolecularWeight: 397.853123

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CN=CC=C3)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC3=CN=CC=C3)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C20H13ClFN3OS/c21-16-10-14(7-8-17(16)22)25-19(26)15-5-1-2-6-18(15)24-20(25)27-12-13-4-3-9-23-11-13/h1-11H,12H2