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

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-4-oxidanylidene-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-4-oxo-N-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-chloro-4-fluorophenyl)-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-chloro-4-fluorophenyl)-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-4-keto-N-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C27H17ClFN3O3S MolecularWeight: 517.958583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC(=C(C=C5)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)C5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C27H17ClFN3O3S/c28-22-15-18(9-13-23(22)29)32-26(34)21-12-6-16(14-24(21)31-27(32)36)25(33)30-17-7-10-20(11-8-17)35-19-4-2-1-3-5-19/h1-15H,(H,30,33)(H,31,36)