1-[4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanoyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[1-oxo-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylacetyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]acetyl]phenyl]-2-pyrrolidone Formula: C21H16F3N3O2S MolecularWeight: 431.43085

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C21H16F3N3O2S/c22-21(23,24)20-25-16-5-2-1-4-15(16)19(26-20)30-12-17(28)13-7-9-14(10-8-13)27-11-3-6-18(27)29/h1-2,4-5,7-10H,3,6,11-12H2