S-(4-methylphenyl) 2-cyano-3,3-dimethyl-butanethioate

Systemtic Name: S-(4-methylphenyl) 2-cyano-3,3-dimethyl-butanethioate Openeye Name: S-(p-tolyl) 2-cyano-3,3-dimethyl-butanethioate CAS Name: 2-cyano-3,3-dimethylbutanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 2-cyano-3,3-dimethylbutanethioate Traditional Name: 2-cyano-3,3-dimethyl-butanethioic acid S-(p-tolyl) ester Formula: C14H17NOS MolecularWeight: 247.35588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C(C#N)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C(C#N)C(C)(C)C

InChI

InChI=1S/C14H17NOS/c1-10-5-7-11(8-6-10)17-13(16)12(9-15)14(2,3)4/h5-8,12H,1-4H3