N-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-keto-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Formula: C22H12ClF4N3O2S MolecularWeight: 493.861193

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)Cl)NC2=S)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)Cl)NC2=S)C(F)(F)F

InChI

InChI=1S/C22H12ClF4N3O2S/c23-16-10-13(5-7-17(16)24)28-19(31)11-4-6-15-18(8-11)29-21(33)30(20(15)32)14-3-1-2-12(9-14)22(25,26)27/h1-10H,(H,28,31)(H,29,33)