[1-(4-methylphenyl)-2-thiocyanato-ethyl] thiocyanate

Systemtic Name: [1-(4-methylphenyl)-2-thiocyanato-ethyl] thiocyanate Openeye Name: [1-(p-tolyl)-2-thiocyanato-ethyl] thiocyanate CAS Name: thiocyanic acid [1-(4-methylphenyl)-2-thiocyanatoethyl] ester IUPAC Name: [1-(4-methylphenyl)-2-thiocyanatoethyl] thiocyanate Traditional Name: thiocyanic acid [1-(p-tolyl)-2-thiocyanato-ethyl] ester Formula: C11H10N2S2 MolecularWeight: 234.3405

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2S2/c1-9-2-4-10(5-3-9)11(15-8-13)6-14-7-12/h2-5,11H,6H2,1H3