2-pentyl-5-(propylsulfinylmethyl)-1H-pyrazol-3-one

Systemtic Name: 2-pentyl-5-(propylsulfinylmethyl)-1H-pyrazol-3-one Openeye Name: 2-pentyl-5-(propylsulfinylmethyl)-1H-pyrazol-3-one CAS Name: 2-pentyl-5-(propylsulfinylmethyl)-1H-pyrazol-3-one IUPAC Name: 2-pentyl-5-(propylsulfinylmethyl)-1H-pyrazol-3-one Traditional Name: 2-amyl-5-(propylsulfinylmethyl)-3-pyrazolin-3-one Formula: C12H22N2O2S MolecularWeight: 258.38028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C=C(N1)CS(=O)CCC

Isomeric SMILES

CCCCCN1C(=O)C=C(N1)CS(=O)CCC

InChI

InChI=1S/C12H22N2O2S/c1-3-5-6-7-14-12(15)9-11(13-14)10-17(16)8-4-2/h9,13H,3-8,10H2,1-2H3