N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-1-quinazolin-4-yl-pyrrolidine-2-carboxamide

Systemtic Name: N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-1-quinazolin-4-yl-pyrrolidine-2-carboxamide Openeye Name: N-[4-(difluoromethylsulfanyl)phenyl]-1-quinazolin-4-yl-pyrrolidine-2-carboxamide CAS Name: N-[4-(difluoromethylthio)phenyl]-1-(4-quinazolinyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[4-(difluoromethylsulfanyl)phenyl]-1-quinazolin-4-ylpyrrolidine-2-carboxamide Traditional Name: N-[4-(difluoromethylthio)phenyl]-1-quinazolin-4-yl-pyrrolidine-2-carboxamide Formula: C20H18F2N4OS MolecularWeight: 400.444926

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=NC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)SC(F)F

Isomeric SMILES

C1CC(N(C1)C2=NC=NC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)SC(F)F

InChI

InChI=1S/C20H18F2N4OS/c21-20(22)28-14-9-7-13(8-10-14)25-19(27)17-6-3-11-26(17)18-15-4-1-2-5-16(15)23-12-24-18/h1-2,4-5,7-10,12,17,20H,3,6,11H2,(H,25,27)