5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylic acid

Systemtic Name: 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,3-triazole-4-carboxylic acid Openeye Name: 5-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid CAS Name: 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-4-triazolecarboxylic acid IUPAC Name: 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid Traditional Name: 5-(2-thienyl)-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid Formula: C14H8F3N3O2S MolecularWeight: 339.29243

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)O)C3=CC=CS3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=C(N=N2)C(=O)O)C3=CC=CS3)C(F)(F)F

InChI

InChI=1S/C14H8F3N3O2S/c15-14(16,17)8-3-1-4-9(7-8)20-12(10-5-2-6-23-10)11(13(21)22)18-19-20/h1-7H,(H,21,22)