(2-oxidanylidene-2-propan-2-yloxy-ethyl) 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 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-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 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-isopropoxy-2-keto-ethyl) ester Formula: C19H16F3N3O4S MolecularWeight: 439.40825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C)OC(=O)COC(=O)C1=NN(C(=N1)C2=CC=CS2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H16F3N3O4S/c1-11(2)29-15(26)10-28-18(27)16-23-17(14-7-4-8-30-14)25(24-16)13-6-3-5-12(9-13)19(20,21)22/h3-9,11H,10H2,1-2H3