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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl)F

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC(=C(C=C4)F)Cl)F

InChI

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