[2-(4-methylphenyl)-3-thiocyanato-propyl] thiocyanate

Systemtic Name: [2-(4-methylphenyl)-3-thiocyanato-propyl] thiocyanate Openeye Name: [2-(p-tolyl)-3-thiocyanato-propyl] thiocyanate CAS Name: thiocyanic acid [2-(4-methylphenyl)-3-thiocyanatopropyl] ester IUPAC Name: [2-(4-methylphenyl)-3-thiocyanatopropyl] thiocyanate Traditional Name: thiocyanic acid [2-(p-tolyl)-3-thiocyanato-propyl] ester Formula: C12H12N2S2 MolecularWeight: 248.36708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2S2/c1-10-2-4-11(5-3-10)12(6-15-8-13)7-16-9-14/h2-5,12H,6-7H2,1H3