[2-(3-chlorophenyl)-1-cyano-ethyl] thiocyanate

Systemtic Name: [2-(3-chlorophenyl)-1-cyano-ethyl] thiocyanate Openeye Name: [2-(3-chlorophenyl)-1-cyano-ethyl] thiocyanate CAS Name: thiocyanic acid [2-(3-chlorophenyl)-1-cyanoethyl] ester IUPAC Name: [2-(3-chlorophenyl)-1-cyanoethyl] thiocyanate Traditional Name: thiocyanic acid [2-(3-chlorophenyl)-1-cyano-ethyl] ester Formula: C10H7ClN2S MolecularWeight: 222.69398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H7ClN2S/c11-9-3-1-2-8(4-9)5-10(6-12)14-7-13/h1-4,10H,5H2