2-butylsulfanyl-1-(3,5-dimethylpyrazol-1-yl)ethanone

Systemtic Name: 2-butylsulfanyl-1-(3,5-dimethylpyrazol-1-yl)ethanone Openeye Name: 2-butylsulfanyl-1-(3,5-dimethylpyrazol-1-yl)ethanone CAS Name: 2-(butylthio)-1-(3,5-dimethyl-1-pyrazolyl)ethanone IUPAC Name: 2-butylsulfanyl-1-(3,5-dimethylpyrazol-1-yl)ethanone Traditional Name: 2-(butylthio)-1-(3,5-dimethylpyrazol-1-yl)ethanone Formula: C11H18N2OS MolecularWeight: 226.33842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)N1C(=CC(=N1)C)C

Isomeric SMILES

CCCCSCC(=O)N1C(=CC(=N1)C)C

InChI

InChI=1S/C11H18N2OS/c1-4-5-6-15-8-11(14)13-10(3)7-9(2)12-13/h7H,4-6,8H2,1-3H3