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

Systemtic Name: (5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl (3-phenylpyridin-2-yl) carbonate Openeye Name: (5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl (3-phenyl-2-pyridyl) carbonate CAS Name: carbonic acid (5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl (3-phenyl-2-pyridinyl) ester IUPAC Name: (5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl (3-phenylpyridin-2-yl) carbonate Traditional Name: carbonic acid (5-butyl-3-propyl-1,2,4-triazol-1-yl)methyl (3-phenyl-2-pyridyl) ester Formula: C22H26N4O3 MolecularWeight: 394.46684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1COC(=O)OC2=C(C=CC=N2)C3=CC=CC=C3)CCC

Isomeric SMILES

CCCCC1=NC(=NN1COC(=O)OC2=C(C=CC=N2)C3=CC=CC=C3)CCC

InChI

InChI=1S/C22H26N4O3/c1-3-5-14-20-24-19(10-4-2)25-26(20)16-28-22(27)29-21-18(13-9-15-23-21)17-11-7-6-8-12-17/h6-9,11-13,15H,3-5,10,14,16H2,1-2H3