5-(methylsulfinylmethyl)-2-propan-2-yl-1H-pyrazol-3-one

Systemtic Name: 5-(methylsulfinylmethyl)-2-propan-2-yl-1H-pyrazol-3-one Openeye Name: 2-isopropyl-5-(methylsulfinylmethyl)-1H-pyrazol-3-one CAS Name: 5-(methylsulfinylmethyl)-2-propan-2-yl-1H-pyrazol-3-one IUPAC Name: 5-(methylsulfinylmethyl)-2-propan-2-yl-1H-pyrazol-3-one Traditional Name: 2-isopropyl-5-(methylsulfinylmethyl)-3-pyrazolin-3-one Formula: C8H14N2O2S MolecularWeight: 202.27396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H14N2O2S/c1-6(2)10-8(11)4-7(9-10)5-13(3)12/h4,6,9H,5H2,1-3H3