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

Systemtic Name: 5-(tert-butylsulfanylmethyl)-2-methyl-1H-pyrazol-3-one Openeye Name: 5-(tert-butylsulfanylmethyl)-2-methyl-1H-pyrazol-3-one CAS Name: 5-[(tert-butylthio)methyl]-2-methyl-1H-pyrazol-3-one IUPAC Name: 5-(tert-butylsulfanylmethyl)-2-methyl-1H-pyrazol-3-one Traditional Name: 5-[(tert-butylthio)methyl]-2-methyl-3-pyrazolin-3-one Formula: C9H16N2OS MolecularWeight: 200.30114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=CC(=O)N(N1)C

Isomeric SMILES

CC(C)(C)SCC1=CC(=O)N(N1)C

InChI

InChI=1S/C9H16N2OS/c1-9(2,3)13-6-7-5-8(12)11(4)10-7/h5,10H,6H2,1-4H3