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

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylate CAS Name: 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxylate Traditional Name: 1-phenyl-5-(2-thienyl)-1,2,4-triazole-3-carboxylic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C23H19FN4O3S MolecularWeight: 450.485363

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C23H19FN4O3S/c24-17-10-8-16(9-11-17)12-13-25-20(29)15-31-23(30)21-26-22(19-7-4-14-32-19)28(27-21)18-5-2-1-3-6-18/h1-11,14H,12-13,15H2,(H,25,29)