S-tert-butyl 2-cyano-2-cyclohexyl-ethanethioate

Systemtic Name: S-tert-butyl 2-cyano-2-cyclohexyl-ethanethioate Openeye Name: S-tert-butyl 2-cyano-2-cyclohexyl-ethanethioate CAS Name: 2-cyano-2-cyclohexylethanethioic acid S-tert-butyl ester IUPAC Name: S-tert-butyl 2-cyano-2-cyclohexylethanethioate Traditional Name: 2-cyano-2-cyclohexyl-ethanethioic acid S-tert-butyl ester Formula: C13H21NOS MolecularWeight: 239.37694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)C(C#N)C1CCCCC1

Isomeric SMILES

CC(C)(C)SC(=O)C(C#N)C1CCCCC1

InChI

InChI=1S/C13H21NOS/c1-13(2,3)16-12(15)11(9-14)10-7-5-4-6-8-10/h10-11H,4-8H2,1-3H3