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

Systemtic Name: (3,5-dimethylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 2-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 2-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 2-(1,2,4-triazol-1-yl)nicotinic acid (3,5-dimethylbenzyl) ester Formula: C17H16N4O2 MolecularWeight: 308.33454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)COC(=O)C2=C(N=CC=C2)N3C=NC=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)COC(=O)C2=C(N=CC=C2)N3C=NC=N3)C

InChI

InChI=1S/C17H16N4O2/c1-12-6-13(2)8-14(7-12)9-23-17(22)15-4-3-5-19-16(15)21-11-18-10-20-21/h3-8,10-11H,9H2,1-2H3