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

Systemtic Name: 5-(tert-butylsulfanylmethyl)-2-propan-2-yl-1H-pyrazol-3-one Openeye Name: 5-(tert-butylsulfanylmethyl)-2-isopropyl-1H-pyrazol-3-one CAS Name: 5-[(tert-butylthio)methyl]-2-propan-2-yl-1H-pyrazol-3-one IUPAC Name: 5-(tert-butylsulfanylmethyl)-2-propan-2-yl-1H-pyrazol-3-one Traditional Name: 5-[(tert-butylthio)methyl]-2-isopropyl-3-pyrazolin-3-one Formula: C11H20N2OS MolecularWeight: 228.3543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20N2OS/c1-8(2)13-10(14)6-9(12-13)7-15-11(3,4)5/h6,8,12H,7H2,1-5H3