N-(2-pyrrolidin-1-ylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-pyrrolidin-1-ylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-pyrrolidin-1-ylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-[2-(1-pyrrolidinyl)phenyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-(2-pyrrolidin-1-ylphenyl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-(2-pyrrolidinophenyl)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetamide Formula: C21H19F3N4OS MolecularWeight: 432.46197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2NC(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C21H19F3N4OS/c22-21(23,24)20-26-15-8-2-1-7-14(15)19(27-20)30-13-18(29)25-16-9-3-4-10-17(16)28-11-5-6-12-28/h1-4,7-10H,5-6,11-13H2,(H,25,29)