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

Systemtic Name: 5-(butan-2-ylsulfanylmethyl)-2-tert-butyl-1H-pyrazol-3-one Openeye Name: 2-tert-butyl-5-(sec-butylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 5-[(butan-2-ylthio)methyl]-2-tert-butyl-1H-pyrazol-3-one IUPAC Name: 5-(butan-2-ylsulfanylmethyl)-2-tert-butyl-1H-pyrazol-3-one Traditional Name: 2-tert-butyl-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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C12H22N2OS/c1-6-9(2)16-8-10-7-11(15)14(13-10)12(3,4)5/h7,9,13H,6,8H2,1-5H3