2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2,2,2-tris(fluoranyl)ethyl]ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2,2,2-trifluoroethyl)acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-(2,2,2-trifluoroethyl)acetamide Formula: C18H20F4N4OS MolecularWeight: 416.436213

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCC(F)(F)F)C3=CC=CC=C3F

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCC(F)(F)F)C3=CC=CC=C3F

InChI

InChI=1S/C18H20F4N4OS/c19-14-9-5-4-8-13(14)16-24-25-17(26(16)12-6-2-1-3-7-12)28-10-15(27)23-11-18(20,21)22/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,23,27)