2-methylsulfanyl-3-(phenylsulfonyl)-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 2-methylsulfanyl-3-(phenylsulfonyl)-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-(benzenesulfonyl)-2-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-(benzenesulfonyl)-2-(methylthio)-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-(benzenesulfonyl)-2-methylsulfanyl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-besyl-2-(methylthio)-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C14H10F3N3O3S2 MolecularWeight: 389.37271

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=NC(=CC(=O)N2N1)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=C(C2=NC(=CC(=O)N2N1)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C14H10F3N3O3S2/c1-24-13-11(25(22,23)8-5-3-2-4-6-8)12-18-9(14(15,16)17)7-10(21)20(12)19-13/h2-7,19H,1H3