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

Systemtic Name: 5-thiophen-2-yl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate Openeye Name: 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-carboxylate IUPAC Name: 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-carboxylate Formula: C14H7F3N3O2S- MolecularWeight: 338.28449

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=NC(=N2)C(=O)[O-])C3=CC=CS3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=NC(=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)18-11(19-20)13(21)22/h1-7H,(H,21,22)/p-1