[1-oxidanylidene-1-(propylamino)propan-2-yl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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