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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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