3-(4-phenylsulfanylphenyl)-6-[2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 3-(4-phenylsulfanylphenyl)-6-[2,2,2-tris(fluoranyl)-1-oxidanyl-ethyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-(4-phenylsulfanylphenyl)-6-(2,2,2-trifluoro-1-hydroxy-ethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-[4-(phenylthio)phenyl]-6-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-(4-phenylsulfanylphenyl)-6-(2,2,2-trifluoro-1-hydroxyethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-[4-(phenylthio)phenyl]-6-(2,2,2-trifluoro-1-hydroxy-ethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C20H14F3N3O2S MolecularWeight: 417.40427

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=CNN4C3=NC=C(C4=O)C(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)C3=CNN4C3=NC=C(C4=O)C(C(F)(F)F)O

InChI

InChI=1S/C20H14F3N3O2S/c21-20(22,23)17(27)16-10-24-18-15(11-25-26(18)19(16)28)12-6-8-14(9-7-12)29-13-4-2-1-3-5-13/h1-11,17,25,27H