5-(butan-2-ylsulfanylmethyl)-2-methyl-1H-pyrazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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