(3,5-dimethylphenyl) 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (3,5-dimethylphenyl) 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (3,5-dimethylphenyl) 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(1,2,4-triazol-1-yl)nicotinic acid (3,5-dimethylphenyl) ester Formula: C16H14N4O2 MolecularWeight: 294.30796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2=CN=C(C=C2)N3C=NC=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2=CN=C(C=C2)N3C=NC=N3)C

InChI

InChI=1S/C16H14N4O2/c1-11-5-12(2)7-14(6-11)22-16(21)13-3-4-15(18-8-13)20-10-17-9-19-20/h3-10H,1-2H3