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

Systemtic Name: 2-(3-methylbutyl)-5-(propylsulfinylmethyl)-1H-pyrazol-3-one Openeye Name: 2-isopentyl-5-(propylsulfinylmethyl)-1H-pyrazol-3-one CAS Name: 2-(3-methylbutyl)-5-(propylsulfinylmethyl)-1H-pyrazol-3-one IUPAC Name: 2-(3-methylbutyl)-5-(propylsulfinylmethyl)-1H-pyrazol-3-one Traditional Name: 2-isoamyl-5-(propylsulfinylmethyl)-3-pyrazolin-3-one Formula: C12H22N2O2S MolecularWeight: 258.38028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N2O2S/c1-4-7-17(16)9-11-8-12(15)14(13-11)6-5-10(2)3/h8,10,13H,4-7,9H2,1-3H3