methyl 2-(2-cyano-2-thiocyanato-ethyl)benzoate

Systemtic Name: methyl 2-(2-cyano-2-thiocyanato-ethyl)benzoate Openeye Name: methyl 2-(2-cyano-2-thiocyanato-ethyl)benzoate CAS Name: 2-(2-cyano-2-thiocyanatoethyl)benzoic acid methyl ester IUPAC Name: methyl 2-(2-cyano-2-thiocyanatoethyl)benzoate Traditional Name: 2-(2-cyano-2-thiocyanato-ethyl)benzoic acid methyl ester Formula: C12H10N2O2S MolecularWeight: 246.285

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CC(C#N)SC#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1CC(C#N)SC#N

InChI

InChI=1S/C12H10N2O2S/c1-16-12(15)11-5-3-2-4-9(11)6-10(7-13)17-8-14/h2-5,10H,6H2,1H3