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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O2/c1-8(2)12-15-11(13(18)19)16-17(12)10-5-3-4-9(6-10)7-14/h3-6,8H,1-2H3,(H,18,19)