(2-benzamido-2-oxidanylidene-ethyl) 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid (2-benzamido-2-keto-ethyl) ester Formula: C22H15FN4O4S MolecularWeight: 450.442303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15FN4O4S/c23-15-8-10-16(11-9-15)27-20(17-7-4-12-32-17)25-19(26-27)22(30)31-13-18(28)24-21(29)14-5-2-1-3-6-14/h1-12H,13H2,(H,24,28,29)