N-(cyanomethyl)-2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethynyl]cyclohexane-1-carboxamide

Systemtic Name: N-(cyanomethyl)-2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethynyl]cyclohexane-1-carboxamide Openeye Name: N-(cyanomethyl)-2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethynyl]cyclohexanecarboxamide CAS Name: N-(cyanomethyl)-2-[2-[4-(trifluoromethylthio)phenyl]ethynyl]-1-cyclohexanecarboxamide IUPAC Name: N-(cyanomethyl)-2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethynyl]cyclohexane-1-carboxamide Traditional Name: N-(cyanomethyl)-2-[2-[4-(trifluoromethylthio)phenyl]ethynyl]cyclohexanecarboxamide Formula: C18H17F3N2OS MolecularWeight: 366.40059

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C#CC2=CC=C(C=C2)SC(F)(F)F)C(=O)NCC#N

Isomeric SMILES

C1CCC(C(C1)C#CC2=CC=C(C=C2)SC(F)(F)F)C(=O)NCC#N

InChI

InChI=1S/C18H17F3N2OS/c19-18(20,21)25-15-9-6-13(7-10-15)5-8-14-3-1-2-4-16(14)17(24)23-12-11-22/h6-7,9-10,14,16H,1-4,12H2,(H,23,24)