N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]-2-(quinazolin-4-ylthio)acetamide Formula: C21H19F3N4OS MolecularWeight: 432.46197

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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