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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)CC(C2=CC=CC=C2)SC#N

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)CC(C2=CC=CC=C2)SC#N

InChI

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