2-butan-2-yl-5-(tert-butylsulfanylmethyl)-1H-pyrazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C=C(N1)CSC(C)(C)C

Isomeric SMILES

CCC(C)N1C(=O)C=C(N1)CSC(C)(C)C

InChI

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