hexyl [2-[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl carbonate

Systemtic Name: hexyl [2-[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl carbonate Openeye Name: hexyl [2-[3-(m-tolyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl carbonate CAS Name: carbonic acid hexyl [2-[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl ester IUPAC Name: hexyl [2-[3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl carbonate Traditional Name: carbonic acid hexyl [2-[3-(m-tolyl)-1H-1,2,4-triazol-5-yl]benzyl] ester Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)OCC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCCCOC(=O)OCC1=CC=CC=C1C2=NC(=NN2)C3=CC(=CC=C3)C

InChI

InChI=1S/C23H27N3O3/c1-3-4-5-8-14-28-23(27)29-16-19-11-6-7-13-20(19)22-24-21(25-26-22)18-12-9-10-17(2)15-18/h6-7,9-13,15H,3-5,8,14,16H2,1-2H3,(H,24,25,26)