5-tert-butyl-1-(4-cyanophenyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-1-(4-cyanophenyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(4-cyanophenyl)-1,2,4-triazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(4-cyanophenyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-tert-butyl-1-(4-cyanophenyl)-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(4-cyanophenyl)-1,2,4-triazole-3-carboxylic acid Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CC(C)(C)C1=NC(=NN1C2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C14H14N4O2/c1-14(2,3)13-16-11(12(19)20)17-18(13)10-6-4-9(8-15)5-7-10/h4-7H,1-3H3,(H,19,20)