5-(butan-2-ylsulfanylmethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one

Systemtic Name: 5-(butan-2-ylsulfanylmethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one Openeye Name: 2-isobutyl-5-(sec-butylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 5-[(butan-2-ylthio)methyl]-2-(2-methylpropyl)-1H-pyrazol-3-one IUPAC Name: 5-(butan-2-ylsulfanylmethyl)-2-(2-methylpropyl)-1H-pyrazol-3-one Traditional Name: 2-isobutyl-5-[(sec-butylthio)methyl]-3-pyrazolin-3-one Formula: C12H22N2OS MolecularWeight: 242.38088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SCC1=CC(=O)N(N1)CC(C)C

Isomeric SMILES

CCC(C)SCC1=CC(=O)N(N1)CC(C)C

InChI

InChI=1S/C12H22N2OS/c1-5-10(4)16-8-11-6-12(15)14(13-11)7-9(2)3/h6,9-10,13H,5,7-8H2,1-4H3