[2-(4-methylphenyl)sulfonyl-1-phenyl-ethyl] thiocyanate

Systemtic Name: [2-(4-methylphenyl)sulfonyl-1-phenyl-ethyl] thiocyanate Openeye Name: [1-phenyl-2-(p-tolylsulfonyl)ethyl] thiocyanate CAS Name: thiocyanic acid [2-(4-methylphenyl)sulfonyl-1-phenylethyl] ester IUPAC Name: [2-(4-methylphenyl)sulfonyl-1-phenylethyl] thiocyanate Traditional Name: thiocyanic acid (1-phenyl-2-tosyl-ethyl) ester Formula: C16H15NO2S2 MolecularWeight: 317.4258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(C2=CC=CC=C2)SC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(C2=CC=CC=C2)SC#N

InChI

InChI=1S/C16H15NO2S2/c1-13-7-9-15(10-8-13)21(18,19)11-16(20-12-17)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3