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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: [2-(methylamino)-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-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-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-keto-2-(methylamino)ethyl] ester Formula: C16H13FN4O3S MolecularWeight: 360.362823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13FN4O3S/c1-18-13(22)9-24-16(23)14-19-15(12-3-2-8-25-12)21(20-14)11-6-4-10(17)5-7-11/h2-8H,9H2,1H3,(H,18,22)