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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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