2-tert-butyl-5-(methylsulfinylmethyl)-1H-pyrazol-3-one

Systemtic Name: 2-tert-butyl-5-(methylsulfinylmethyl)-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-5-(methylsulfinylmethyl)-1H-pyrazol-3-one CAS Name: 2-tert-butyl-5-(methylsulfinylmethyl)-1H-pyrazol-3-one IUPAC Name: 2-tert-butyl-5-(methylsulfinylmethyl)-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-5-(methylsulfinylmethyl)-3-pyrazolin-3-one Formula: C9H16N2O2S MolecularWeight: 216.30054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=O)C=C(N1)CS(=O)C

Isomeric SMILES

CC(C)(C)N1C(=O)C=C(N1)CS(=O)C

InChI

InChI=1S/C9H16N2O2S/c1-9(2,3)11-8(12)5-7(10-11)6-14(4)13/h5,10H,6H2,1-4H3