5-(trifluoromethyl)-1-(triphenylmethyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-(trifluoromethyl)-1-(triphenylmethyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-(trifluoromethyl)-1-trityl-1,2,4-triazole-3-carboxylic acid CAS Name: 5-(trifluoromethyl)-1-(triphenylmethyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-(trifluoromethyl)-1-trityl-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-(trifluoromethyl)-1-trityl-1,2,4-triazole-3-carboxylic acid Formula: C23H16F3N3O2 MolecularWeight: 423.38725

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C(=NC(=N4)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C(=NC(=N4)C(=O)O)C(F)(F)F

InChI

InChI=1S/C23H16F3N3O2/c24-23(25,26)21-27-19(20(30)31)28-29(21)22(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,30,31)