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

Systemtic Name: 1-(4-cyanophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(4-cyanophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(4-cyanophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(4-cyanophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(4-cyanophenyl)-5-propyl-1,2,4-triazole-3-carboxylic acid Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1C2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

CCCC1=NC(=NN1C2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C13H12N4O2/c1-2-3-11-15-12(13(18)19)16-17(11)10-6-4-9(8-14)5-7-10/h4-7H,2-3H2,1H3,(H,18,19)