N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)-1-[2-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)-1-[2-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide CAS Name: N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-1-[2-(trifluoromethyl)phenyl]-4-triazolecarboxamide IUPAC Name: N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide Traditional Name: N-[2-pyrrolidino-2-(2-thienyl)ethyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide Formula: C20H20F3N5OS MolecularWeight: 435.46591

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CN(N=N2)C3=CC=CC=C3C(F)(F)F)C4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CN(N=N2)C3=CC=CC=C3C(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C20H20F3N5OS/c21-20(22,23)14-6-1-2-7-16(14)28-13-15(25-26-28)19(29)24-12-17(18-8-5-11-30-18)27-9-3-4-10-27/h1-2,5-8,11,13,17H,3-4,9-10,12H2,(H,24,29)