5-[[2,3-bis(fluoranyl)phenyl]sulfanylmethyl]-2-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-[[2,3-bis(fluoranyl)phenyl]sulfanylmethyl]-2-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-[[(2,3-difluorophenyl)thio]methyl]-2-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-[[(2,3-difluorophenyl)thio]methyl]-2-[2-(trifluoromethyl)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C20H12F5N3OS MolecularWeight: 437.385796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC3=NC(=CC(=O)N3N2)CSC4=CC=CC(=C4F)F)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC3=NC(=CC(=O)N3N2)CSC4=CC=CC(=C4F)F)C(F)(F)F

InChI

InChI=1S/C20H12F5N3OS/c21-14-6-3-7-16(19(14)22)30-10-11-8-18(29)28-17(26-11)9-15(27-28)12-4-1-2-5-13(12)20(23,24)25/h1-9,27H,10H2