2-ethyl-5-(propylsulfinylmethyl)-1H-pyrazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)CC1=CC(=O)N(N1)CC

Isomeric SMILES

CCCS(=O)CC1=CC(=O)N(N1)CC

InChI

InChI=1S/C9H16N2O2S/c1-3-5-14(13)7-8-6-9(12)11(4-2)10-8/h6,10H,3-5,7H2,1-2H3