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

Systemtic Name: 5-(butan-2-ylsulfanylmethyl)-2-butyl-1H-pyrazol-3-one Openeye Name: 2-butyl-5-(sec-butylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 5-[(butan-2-ylthio)methyl]-2-butyl-1H-pyrazol-3-one IUPAC Name: 5-(butan-2-ylsulfanylmethyl)-2-butyl-1H-pyrazol-3-one Traditional Name: 2-butyl-5-[(sec-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)CC

Isomeric SMILES

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

InChI

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