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

Systemtic Name: 2-(2-methylpropyl)-5-(propylsulfinylmethyl)-1H-pyrazol-3-one Openeye Name: 2-isobutyl-5-(propylsulfinylmethyl)-1H-pyrazol-3-one CAS Name: 2-(2-methylpropyl)-5-(propylsulfinylmethyl)-1H-pyrazol-3-one IUPAC Name: 2-(2-methylpropyl)-5-(propylsulfinylmethyl)-1H-pyrazol-3-one Traditional Name: 2-isobutyl-5-(propylsulfinylmethyl)-3-pyrazolin-3-one Formula: C11H20N2O2S MolecularWeight: 244.3537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20N2O2S/c1-4-5-16(15)8-10-6-11(14)13(12-10)7-9(2)3/h6,9,12H,4-5,7-8H2,1-3H3