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

Systemtic Name: N-(3-chlorophenyl)-4-oxidanylidene-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: N-(3-chlorophenyl)-4-oxo-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide CAS Name: N-(3-chlorophenyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-chlorophenyl)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: N-(3-chlorophenyl)-4-keto-2-thioxo-3-[3-(trifluoromethyl)phenyl]-1H-quinazoline-7-carboxamide Formula: C22H13ClF3N3O2S MolecularWeight: 475.87073

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H13ClF3N3O2S/c23-14-4-2-5-15(11-14)27-19(30)12-7-8-17-18(9-12)28-21(32)29(20(17)31)16-6-1-3-13(10-16)22(24,25)26/h1-11H,(H,27,30)(H,28,32)