[5-butyl-3-(3-methylbutyl)-1,2,4-triazol-1-yl]methyl (2-phenylpyridin-3-yl) carbonate

Systemtic Name: [5-butyl-3-(3-methylbutyl)-1,2,4-triazol-1-yl]methyl (2-phenylpyridin-3-yl) carbonate Openeye Name: (5-butyl-3-isopentyl-1,2,4-triazol-1-yl)methyl (2-phenyl-3-pyridyl) carbonate CAS Name: carbonic acid [5-butyl-3-(3-methylbutyl)-1,2,4-triazol-1-yl]methyl (2-phenyl-3-pyridinyl) ester IUPAC Name: [5-butyl-3-(3-methylbutyl)-1,2,4-triazol-1-yl]methyl (2-phenylpyridin-3-yl) carbonate Traditional Name: carbonic acid (5-butyl-3-isoamyl-1,2,4-triazol-1-yl)methyl (2-phenyl-3-pyridyl) ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O3/c1-4-5-13-22-26-21(15-14-18(2)3)27-28(22)17-30-24(29)31-20-12-9-16-25-23(20)19-10-7-6-8-11-19/h6-12,16,18H,4-5,13-15,17H2,1-3H3