[(1R)-1-cyano-2-(4-ethanoylphenyl)ethyl] thiocyanate

Systemtic Name: [(1R)-1-cyano-2-(4-ethanoylphenyl)ethyl] thiocyanate Openeye Name: [(1R)-2-(4-acetylphenyl)-1-cyano-ethyl] thiocyanate CAS Name: thiocyanic acid [(1R)-2-(4-acetylphenyl)-1-cyanoethyl] ester IUPAC Name: [(1R)-2-(4-acetylphenyl)-1-cyanoethyl] thiocyanate Traditional Name: thiocyanic acid [(1R)-2-(4-acetylphenyl)-1-cyano-ethyl] ester Formula: C12H10N2OS MolecularWeight: 230.2856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C[C@H](C#N)SC#N

InChI

InChI=1S/C12H10N2OS/c1-9(15)11-4-2-10(3-5-11)6-12(7-13)16-8-14/h2-5,12H,6H2,1H3/t12-/m1/s1