3-[5-(tert-butylsulfanylmethyl)-3-oxidanylidene-1H-pyrazol-2-yl]propanenitrile

Systemtic Name: 3-[5-(tert-butylsulfanylmethyl)-3-oxidanylidene-1H-pyrazol-2-yl]propanenitrile Openeye Name: 3-[5-(tert-butylsulfanylmethyl)-3-oxo-1H-pyrazol-2-yl]propanenitrile CAS Name: 3-[5-[(tert-butylthio)methyl]-3-oxo-1H-pyrazol-2-yl]propanenitrile IUPAC Name: 3-[5-(tert-butylsulfanylmethyl)-3-oxo-1H-pyrazol-2-yl]propanenitrile Traditional Name: 3-[3-[(tert-butylthio)methyl]-5-keto-3-pyrazolin-1-yl]propionitrile Formula: C11H17N3OS MolecularWeight: 239.33718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=CC(=O)N(N1)CCC#N

Isomeric SMILES

CC(C)(C)SCC1=CC(=O)N(N1)CCC#N

InChI

InChI=1S/C11H17N3OS/c1-11(2,3)16-8-9-7-10(15)14(13-9)6-4-5-12/h7,13H,4,6,8H2,1-3H3