ethyl (5S)-3-ethyl-2-phenyl-5-(trifluoromethyl)-1H-1,2,4-triazole-5-carboxylate

Systemtic Name: ethyl (5S)-3-ethyl-2-phenyl-5-(trifluoromethyl)-1H-1,2,4-triazole-5-carboxylate Openeye Name: ethyl (5S)-3-ethyl-2-phenyl-5-(trifluoromethyl)-1H-1,2,4-triazole-5-carboxylate CAS Name: (5S)-3-ethyl-2-phenyl-5-(trifluoromethyl)-1H-1,2,4-triazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl (5S)-3-ethyl-2-phenyl-5-(trifluoromethyl)-1H-1,2,4-triazole-5-carboxylate Traditional Name: (5S)-3-ethyl-2-phenyl-5-(trifluoromethyl)-1H-1,2,4-triazole-5-carboxylic acid ethyl ester Formula: C14H16F3N3O2 MolecularWeight: 315.29095

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(NN1C2=CC=CC=C2)(C(=O)OCC)C(F)(F)F

Isomeric SMILES

CCC1=N[C@](NN1C2=CC=CC=C2)(C(=O)OCC)C(F)(F)F

InChI

InChI=1S/C14H16F3N3O2/c1-3-11-18-13(14(15,16)17,12(21)22-4-2)19-20(11)10-8-6-5-7-9-10/h5-9,19H,3-4H2,1-2H3/t13-/m0/s1