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

Systemtic Name: 2-methylsulfanyl-7-oxidanyl-3-(phenylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidin-5-one Openeye Name: 3-(benzenesulfonyl)-7-hydroxy-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-5-one CAS Name: 3-(benzenesulfonyl)-7-hydroxy-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-5-one IUPAC Name: 3-(benzenesulfonyl)-7-hydroxy-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-5-one Traditional Name: 3-besyl-7-hydroxy-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-5-one Formula: C13H11N3O4S2 MolecularWeight: 337.37414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O4S2/c1-21-13-11(22(19,20)8-5-3-2-4-6-8)12-14-9(17)7-10(18)16(12)15-13/h2-7,15,18H,1H3