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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 5-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate CAS Name: 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Traditional Name: 5-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid (2-anilino-2-keto-ethyl) ester Formula: C22H15F3N4O3S MolecularWeight: 472.43971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15F3N4O3S/c23-22(24,25)14-6-4-9-16(12-14)29-20(17-10-5-11-33-17)27-19(28-29)21(31)32-13-18(30)26-15-7-2-1-3-8-15/h1-12H,13H2,(H,26,30)