(1R,2R)-N-(cyanomethyl)-2-[[4-(trifluoromethyloxy)phenyl]sulfanylmethyl]cyclohexane-1-carboxamide

Systemtic Name: (1R,2R)-N-(cyanomethyl)-2-[[4-(trifluoromethyloxy)phenyl]sulfanylmethyl]cyclohexane-1-carboxamide Openeye Name: (1R,2R)-N-(cyanomethyl)-2-[[4-(trifluoromethoxy)phenyl]sulfanylmethyl]cyclohexanecarboxamide CAS Name: (1R,2R)-N-(cyanomethyl)-2-[[[4-(trifluoromethoxy)phenyl]thio]methyl]-1-cyclohexanecarboxamide IUPAC Name: (1R,2R)-N-(cyanomethyl)-2-[[4-(trifluoromethoxy)phenyl]sulfanylmethyl]cyclohexane-1-carboxamide Traditional Name: (1R,2R)-N-(cyanomethyl)-2-[[[4-(trifluoromethoxy)phenyl]thio]methyl]cyclohexanecarboxamide Formula: C17H19F3N2O2S MolecularWeight: 372.40517

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CSC2=CC=C(C=C2)OC(F)(F)F)C(=O)NCC#N

Isomeric SMILES

C1CC[C@H]([C@@H](C1)CSC2=CC=C(C=C2)OC(F)(F)F)C(=O)NCC#N

InChI

InChI=1S/C17H19F3N2O2S/c18-17(19,20)24-13-5-7-14(8-6-13)25-11-12-3-1-2-4-15(12)16(23)22-10-9-21/h5-8,12,15H,1-4,10-11H2,(H,22,23)/t12-,15+/m0/s1