2-[5-(tert-butylsulfanylmethyl)-4-chloranyl-3-oxidanylidene-1H-pyrazol-2-yl]ethanenitrile

Systemtic Name: 2-[5-(tert-butylsulfanylmethyl)-4-chloranyl-3-oxidanylidene-1H-pyrazol-2-yl]ethanenitrile Openeye Name: 2-[5-(tert-butylsulfanylmethyl)-4-chloro-3-oxo-1H-pyrazol-2-yl]acetonitrile CAS Name: 2-[5-[(tert-butylthio)methyl]-4-chloro-3-oxo-1H-pyrazol-2-yl]acetonitrile IUPAC Name: 2-[5-(tert-butylsulfanylmethyl)-4-chloro-3-oxo-1H-pyrazol-2-yl]acetonitrile Traditional Name: 2-[3-[(tert-butylthio)methyl]-4-chloro-5-keto-3-pyrazolin-1-yl]acetonitrile Formula: C10H14ClN3OS MolecularWeight: 259.75566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14ClN3OS/c1-10(2,3)16-6-7-8(11)9(15)14(13-7)5-4-12/h13H,5-6H2,1-3H3