2-[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]ethanoic acid

Systemtic Name: 2-[4-(phenylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]ethanoic acid Openeye Name: 2-[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]acetic acid CAS Name: 2-[4-(phenylmethyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]acetic acid IUPAC Name: 2-(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)acetic acid Traditional Name: 2-[4-benzyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]acetic acid Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2C3=CN=CC=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2C3=CN=CC=C3)CC(=O)O

InChI

InChI=1S/C16H14N4O2/c21-15(22)9-14-18-19-16(13-7-4-8-17-10-13)20(14)11-12-5-2-1-3-6-12/h1-8,10H,9,11H2,(H,21,22)