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

Systemtic Name: 5-(butan-2-ylsulfanylmethyl)-2-ethyl-1H-pyrazol-3-one Openeye Name: 2-ethyl-5-(sec-butylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 5-[(butan-2-ylthio)methyl]-2-ethyl-1H-pyrazol-3-one IUPAC Name: 5-(butan-2-ylsulfanylmethyl)-2-ethyl-1H-pyrazol-3-one Traditional Name: 2-ethyl-5-[(sec-butylthio)methyl]-3-pyrazolin-3-one Formula: C10H18N2OS MolecularWeight: 214.32772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18N2OS/c1-4-8(3)14-7-9-6-10(13)12(5-2)11-9/h6,8,11H,4-5,7H2,1-3H3