2-cyano-N-[3-(cyanomethyl)-5-(phenylmethyl)-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-cyano-N-[3-(cyanomethyl)-5-(phenylmethyl)-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-[3-benzyl-5-(cyanomethyl)-1,2,4-triazol-4-yl]-2-cyano-acetamide CAS Name: 2-cyano-N-[3-(cyanomethyl)-5-(phenylmethyl)-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-[3-benzyl-5-(cyanomethyl)-1,2,4-triazol-4-yl]-2-cyanoacetamide Traditional Name: N-[3-benzyl-5-(cyanomethyl)-1,2,4-triazol-4-yl]-2-cyano-acetamide Formula: C14H12N6O MolecularWeight: 280.28468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2NC(=O)CC#N)CC#N

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2NC(=O)CC#N)CC#N

InChI

InChI=1S/C14H12N6O/c15-8-6-12-17-18-13(10-11-4-2-1-3-5-11)20(12)19-14(21)7-9-16/h1-5H,6-7,10H2,(H,19,21)