5-(tert-butylsulfanylmethyl)-2-propyl-1H-pyrazol-3-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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