2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[[4-(2-furylmethyl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[4-(2-furanylmethyl)-5-(2-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[4-(2-furfuryl)-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C21H16F3N5O2S MolecularWeight: 459.44425

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)C2=NN=C(N2CC3=CC=CO3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H16F3N5O2S/c22-21(23,24)14-5-3-6-15(11-14)26-18(30)13-32-20-28-27-19(17-8-1-2-9-25-17)29(20)12-16-7-4-10-31-16/h1-11H,12-13H2,(H,26,30)