1-cyanoethyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: 1-cyanoethyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: 1-cyanoethyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid 1-cyanoethyl ester Formula: C18H14N4O2 MolecularWeight: 318.32936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C#N)OC(=O)C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H14N4O2/c1-13(12-19)24-18(23)16-20-17(14-8-4-2-5-9-14)22(21-16)15-10-6-3-7-11-15/h2-11,13H,1H3