[3,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl] thiocyanate

Systemtic Name: [3,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl] thiocyanate Openeye Name: [3,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl] thiocyanate CAS Name: thiocyanic acid [3,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl] ester IUPAC Name: [3,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl] thiocyanate Traditional Name: thiocyanic acid [3,5-dimethyl-4-[[4-(trifluoromethyl)phenyl]sulfonylamino]phenyl] ester Formula: C16H13F3N2O2S2 MolecularWeight: 386.41183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)C)SC#N

Isomeric SMILES

CC1=CC(=CC(=C1NS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F)C)SC#N

InChI

InChI=1S/C16H13F3N2O2S2/c1-10-7-13(24-9-20)8-11(2)15(10)21-25(22,23)14-5-3-12(4-6-14)16(17,18)19/h3-8,21H,1-2H3