2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C21H18F3N3O2S MolecularWeight: 433.44673

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O2S/c22-21(23,24)14-6-5-7-15(12-14)27-19(29)16-8-1-2-9-17(16)25-20(27)30-13-18(28)26-10-3-4-11-26/h1-2,5-9,12H,3-4,10-11,13H2