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

Systemtic Name: 2-[5-(butan-2-ylsulfanylmethyl)-3-oxidanylidene-1H-pyrazol-2-yl]ethanenitrile Openeye Name: 2-[3-oxo-5-(sec-butylsulfanylmethyl)-1H-pyrazol-2-yl]acetonitrile CAS Name: 2-[5-[(butan-2-ylthio)methyl]-3-oxo-1H-pyrazol-2-yl]acetonitrile IUPAC Name: 2-[5-(butan-2-ylsulfanylmethyl)-3-oxo-1H-pyrazol-2-yl]acetonitrile Traditional Name: 2-[5-keto-3-[(sec-butylthio)methyl]-3-pyrazolin-1-yl]acetonitrile Formula: C10H15N3OS MolecularWeight: 225.3106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N3OS/c1-3-8(2)15-7-9-6-10(14)13(12-9)5-4-11/h6,8,12H,3,5,7H2,1-2H3