pyridin-2-ylmethyl 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate

Systemtic Name: pyridin-2-ylmethyl 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: 2-pyridylmethyl 5-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate CAS Name: 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Traditional Name: 5-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid 2-pyridylmethyl ester Formula: C20H13F3N4O2S MolecularWeight: 430.40303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)COC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)COC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H13F3N4O2S/c21-20(22,23)13-5-3-7-15(11-13)27-18(16-8-4-10-30-16)25-17(26-27)19(28)29-12-14-6-1-2-9-24-14/h1-11H,12H2