3-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-[2-chloranyl-5-(trifluoromethyl)phenyl]-4-oxidanylidene-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-N-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-N-(4-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-4-keto-N-(4-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C28H17ClF3N3O3S MolecularWeight: 567.96609

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=C(C=CC(=C5)C(F)(F)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=C(C=CC(=C5)C(F)(F)F)Cl

InChI

InChI=1S/C28H17ClF3N3O3S/c29-22-13-7-17(28(30,31)32)15-24(22)35-26(37)21-12-6-16(14-23(21)34-27(35)39)25(36)33-18-8-10-20(11-9-18)38-19-4-2-1-3-5-19/h1-15H,(H,33,36)(H,34,39)