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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=C(N1)CSC(C)(C)C

Isomeric SMILES

CCCCN1C(=O)C=C(N1)CSC(C)(C)C

InChI

InChI=1S/C12H22N2OS/c1-5-6-7-14-11(15)8-10(13-14)9-16-12(2,3)4/h8,13H,5-7,9H2,1-4H3