2-[2-cyano-4-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-cyano-4-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]phenoxy]ethanoic acid Openeye Name: 2-[2-cyano-4-[5-(2-methyl-4-pyridyl)-1H-1,2,4-triazol-3-yl]phenoxy]acetic acid CAS Name: 2-[2-cyano-4-[5-(2-methyl-4-pyridinyl)-1H-1,2,4-triazol-3-yl]phenoxy]acetic acid IUPAC Name: 2-[2-cyano-4-[5-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-yl]phenoxy]acetic acid Traditional Name: 2-[2-cyano-4-[5-(2-methyl-4-pyridyl)-1H-1,2,4-triazol-3-yl]phenoxy]acetic acid Formula: C17H13N5O3 MolecularWeight: 335.31682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCC(=O)O)C#N

Isomeric SMILES

CC1=NC=CC(=C1)C2=NC(=NN2)C3=CC(=C(C=C3)OCC(=O)O)C#N

InChI

InChI=1S/C17H13N5O3/c1-10-6-12(4-5-19-10)17-20-16(21-22-17)11-2-3-14(13(7-11)8-18)25-9-15(23)24/h2-7H,9H2,1H3,(H,23,24)(H,20,21,22)