(4-cyanophenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (4-cyanobenzyl) ester Formula: C16H11N5O2 MolecularWeight: 305.29084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=C(N=C1)N2C=NC=N2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H11N5O2/c17-8-12-3-5-13(6-4-12)9-23-16(22)14-2-1-7-19-15(14)21-11-18-10-20-21/h1-7,10-11H,9H2