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

Systemtic Name: 2-[3-(cyanomethyl)-5-(phenylmethyl)-1,2,4-triazol-1-yl]ethanoic acid Openeye Name: 2-[5-benzyl-3-(cyanomethyl)-1,2,4-triazol-1-yl]acetic acid CAS Name: 2-[3-(cyanomethyl)-5-(phenylmethyl)-1,2,4-triazol-1-yl]acetic acid IUPAC Name: 2-[5-benzyl-3-(cyanomethyl)-1,2,4-triazol-1-yl]acetic acid Traditional Name: 2-[5-benzyl-3-(cyanomethyl)-1,2,4-triazol-1-yl]acetic acid Formula: C13H12N4O2 MolecularWeight: 256.25998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=NN2CC(=O)O)CC#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=NN2CC(=O)O)CC#N

InChI

InChI=1S/C13H12N4O2/c14-7-6-11-15-12(17(16-11)9-13(18)19)8-10-4-2-1-3-5-10/h1-5H,6,8-9H2,(H,18,19)