2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[3-(3-chloro-4-fluoro-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide CAS Name: 2-[[3-(3-chloro-4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[3-(3-chloro-4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-fluorophenyl)acetamide Traditional Name: 2-[[3-(3-chloro-4-fluoro-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(3-fluorophenyl)acetamide Formula: C22H14ClF2N3O2S MolecularWeight: 457.880266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)F)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC(=CC=C3)F)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H14ClF2N3O2S/c23-17-11-15(8-9-18(17)25)28-21(30)16-6-1-2-7-19(16)27-22(28)31-12-20(29)26-14-5-3-4-13(24)10-14/h1-11H,12H2,(H,26,29)