[2-(4-methylphenyl)-1-thiocyanato-propan-2-yl] thiocyanate

Systemtic Name: [2-(4-methylphenyl)-1-thiocyanato-propan-2-yl] thiocyanate Openeye Name: [1-methyl-1-(p-tolyl)-2-thiocyanato-ethyl] thiocyanate CAS Name: thiocyanic acid [2-(4-methylphenyl)-1-thiocyanatopropan-2-yl] ester IUPAC Name: [2-(4-methylphenyl)-1-thiocyanatopropan-2-yl] thiocyanate Traditional Name: thiocyanic acid [1-methyl-1-(p-tolyl)-2-thiocyanato-ethyl] ester Formula: C12H12N2S2 MolecularWeight: 248.36708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2S2/c1-10-3-5-11(6-4-10)12(2,16-9-14)7-15-8-13/h3-6H,7H2,1-2H3