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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3-(4-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3-(4-fluorophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3-(4-fluorophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H12ClF2N3O2S MolecularWeight: 443.853686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)Cl)NC2=S)F

Isomeric SMILES

C1=CC(=CC=C1N2C(=O)C3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)Cl)NC2=S)F

InChI

InChI=1S/C21H12ClF2N3O2S/c22-16-10-13(4-8-17(16)24)25-19(28)11-1-7-15-18(9-11)26-21(30)27(20(15)29)14-5-2-12(23)3-6-14/h1-10H,(H,25,28)(H,26,30)