[2-(tert-butylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(tert-butylamino)-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-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-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-(tert-butylamino)-2-keto-ethyl] ester Formula: C19H19FN4O3S MolecularWeight: 402.442563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN4O3S/c1-19(2,3)22-15(25)11-27-18(26)16-21-17(14-5-4-10-28-14)24(23-16)13-8-6-12(20)7-9-13/h4-10H,11H2,1-3H3,(H,22,25)