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

Systemtic Name: 2-[3-(cyanomethyl)-5-(phenylmethyl)-1,2,4-triazol-1-yl]ethanoate Openeye Name: 2-[5-benzyl-3-(cyanomethyl)-1,2,4-triazol-1-yl]acetate CAS Name: 2-[3-(cyanomethyl)-5-(phenylmethyl)-1,2,4-triazol-1-yl]acetate IUPAC Name: 2-[5-benzyl-3-(cyanomethyl)-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[5-benzyl-3-(cyanomethyl)-1,2,4-triazol-1-yl]acetate Formula: C13H11N4O2- MolecularWeight: 255.25204

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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)/p-1