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

Systemtic Name: 1-(3-cyanophenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid Openeye Name: 1-(3-cyanophenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid CAS Name: 1-(3-cyanophenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid IUPAC Name: 1-(3-cyanophenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid Traditional Name: 1-(3-cyanophenyl)-5-ethyl-1,2,4-triazole-3-carboxylic acid Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1C2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

CCC1=NC(=NN1C2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C12H10N4O2/c1-2-10-14-11(12(17)18)15-16(10)9-5-3-4-8(6-9)7-13/h3-6H,2H2,1H3,(H,17,18)