(2,6-dimethoxyphenyl) 1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: (2,6-dimethoxyphenyl) 1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: (2,6-dimethoxyphenyl) 1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid (2,6-dimethoxyphenyl) ester IUPAC Name: (2,6-dimethoxyphenyl) 1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid (2,6-dimethoxyphenyl) ester Formula: C21H16FN3O4S MolecularWeight: 425.432843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)OC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

Isomeric SMILES

COC1=C(C(=CC=C1)OC)OC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

InChI

InChI=1S/C21H16FN3O4S/c1-27-15-8-4-9-16(28-2)18(15)29-21(26)19-23-20(17-10-5-11-30-17)25(24-19)14-7-3-6-13(22)12-14/h3-12H,1-2H3