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

Systemtic Name: 2-butyl-5-(propylsulfinylmethyl)-1H-pyrazol-3-one Openeye Name: 2-butyl-5-(propylsulfinylmethyl)-1H-pyrazol-3-one CAS Name: 2-butyl-5-(propylsulfinylmethyl)-1H-pyrazol-3-one IUPAC Name: 2-butyl-5-(propylsulfinylmethyl)-1H-pyrazol-3-one Traditional Name: 2-butyl-5-(propylsulfinylmethyl)-3-pyrazolin-3-one Formula: C11H20N2O2S MolecularWeight: 244.3537

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C=C(N1)CS(=O)CCC

Isomeric SMILES

CCCCN1C(=O)C=C(N1)CS(=O)CCC

InChI

InChI=1S/C11H20N2O2S/c1-3-5-6-13-11(14)8-10(12-13)9-16(15)7-4-2/h8,12H,3-7,9H2,1-2H3