N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C22H18F3N5OS MolecularWeight: 457.47143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C22H18F3N5OS/c1-13-19(14(2)30(29-13)15-8-4-3-5-9-15)27-18(31)12-32-20-16-10-6-7-11-17(16)26-21(28-20)22(23,24)25/h3-11H,12H2,1-2H3,(H,27,31)