(5-butyl-3-tert-butyl-1,2,4-triazol-1-yl)methyl (2-phenylpyridin-3-yl) carbonate

Systemtic Name: (5-butyl-3-tert-butyl-1,2,4-triazol-1-yl)methyl (2-phenylpyridin-3-yl) carbonate Openeye Name: (5-butyl-3-tert-butyl-1,2,4-triazol-1-yl)methyl (2-phenyl-3-pyridyl) carbonate CAS Name: carbonic acid (5-butyl-3-tert-butyl-1,2,4-triazol-1-yl)methyl (2-phenyl-3-pyridinyl) ester IUPAC Name: (5-butyl-3-tert-butyl-1,2,4-triazol-1-yl)methyl (2-phenylpyridin-3-yl) carbonate Traditional Name: carbonic acid (5-butyl-3-tert-butyl-1,2,4-triazol-1-yl)methyl (2-phenyl-3-pyridyl) ester Formula: C23H28N4O3 MolecularWeight: 408.49342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1COC(=O)OC2=C(N=CC=C2)C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCCCC1=NC(=NN1COC(=O)OC2=C(N=CC=C2)C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C23H28N4O3/c1-5-6-14-19-25-21(23(2,3)4)26-27(19)16-29-22(28)30-18-13-10-15-24-20(18)17-11-8-7-9-12-17/h7-13,15H,5-6,14,16H2,1-4H3