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

Systemtic Name: ethyl 5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-phenyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylate CAS Name: 5-phenyl-1-[3-(trifluoromethyl)phenyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-phenyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylate Traditional Name: 5-phenyl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid ethyl ester Formula: C18H14F3N3O2 MolecularWeight: 361.31787

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C18H14F3N3O2/c1-2-26-17(25)15-16(12-7-4-3-5-8-12)24(23-22-15)14-10-6-9-13(11-14)18(19,20)21/h3-11H,2H2,1H3