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

Systemtic Name: 5-[[2,3-bis(fluoranyl)phenyl]sulfanylmethyl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-[[(2,3-difluorophenyl)thio]methyl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-[(2,3-difluorophenyl)sulfanylmethyl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-[[(2,3-difluorophenyl)thio]methyl]-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C14H8F5N3OS MolecularWeight: 361.289836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)SCC2=CC(=O)N3C(=N2)C=C(N3)C(F)(F)F)F)F

Isomeric SMILES

C1=CC(=C(C(=C1)SCC2=CC(=O)N3C(=N2)C=C(N3)C(F)(F)F)F)F

InChI

InChI=1S/C14H8F5N3OS/c15-8-2-1-3-9(13(8)16)24-6-7-4-12(23)22-11(20-7)5-10(21-22)14(17,18)19/h1-5,21H,6H2