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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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