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

Systemtic Name: 5-(butan-2-ylsulfanylmethyl)-2-propyl-1H-pyrazol-3-one Openeye Name: 2-propyl-5-(sec-butylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 5-[(butan-2-ylthio)methyl]-2-propyl-1H-pyrazol-3-one IUPAC Name: 5-(butan-2-ylsulfanylmethyl)-2-propyl-1H-pyrazol-3-one Traditional Name: 2-propyl-5-[(sec-butylthio)methyl]-3-pyrazolin-3-one Formula: C11H20N2OS MolecularWeight: 228.3543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C=C(N1)CSC(C)CC

Isomeric SMILES

CCCN1C(=O)C=C(N1)CSC(C)CC

InChI

InChI=1S/C11H20N2OS/c1-4-6-13-11(14)7-10(12-13)8-15-9(3)5-2/h7,9,12H,4-6,8H2,1-3H3