(4-tert-butylphenyl) 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (4-tert-butylphenyl) 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (4-tert-butylphenyl) 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(1,2,4-triazol-1-yl)nicotinic acid (4-tert-butylphenyl) ester Formula: C18H18N4O2 MolecularWeight: 322.36112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2/c1-18(2,3)14-5-7-15(8-6-14)24-17(23)13-4-9-16(20-10-13)22-12-19-11-21-22/h4-12H,1-3H3