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

Systemtic Name: 5-tert-butyl-2-methylsulfanyl-3-(phenylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 3-(benzenesulfonyl)-5-tert-butyl-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 3-(benzenesulfonyl)-5-tert-butyl-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 3-(benzenesulfonyl)-5-tert-butyl-2-methylsulfanyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 3-besyl-5-tert-butyl-2-(methylthio)-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N2C(=N1)C(=C(N2)SC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=O)N2C(=N1)C(=C(N2)SC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H19N3O3S2/c1-17(2,3)12-10-13(21)20-15(18-12)14(16(19-20)24-4)25(22,23)11-8-6-5-7-9-11/h5-10,19H,1-4H3