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

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl) 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: (2-methoxy-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-methoxy-2-oxoethyl) ester IUPAC Name: (2-methoxy-2-oxoethyl) 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-keto-2-methoxy-ethyl) ester Formula: C17H12F3N3O4S MolecularWeight: 411.35509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12F3N3O4S/c1-26-13(24)9-27-16(25)14-21-15(12-6-3-7-28-12)23(22-14)11-5-2-4-10(8-11)17(18,19)20/h2-8H,9H2,1H3