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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C=C(N1)CSC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=O)C=C(N1)CSC(C)(C)C

InChI

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