3-[5-(butan-2-ylsulfanylmethyl)-3-oxidanylidene-1H-pyrazol-2-yl]propanenitrile

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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