5-[4-butylperoxy-1-(2,6-dimethylcyclohexyl)-3-isocyano-butan-2-yl]-3-(4-methylphenyl)-1H-1,2,4-triazole

Systemtic Name: 5-[4-butylperoxy-1-(2,6-dimethylcyclohexyl)-3-isocyano-butan-2-yl]-3-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 5-[3-butylperoxy-1-[(2,6-dimethylcyclohexyl)methyl]-2-isocyano-propyl]-3-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-[4-butyldioxy-1-(2,6-dimethylcyclohexyl)-3-isocyanobutan-2-yl]-3-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 5-[4-butylperoxy-1-(2,6-dimethylcyclohexyl)-3-isocyanobutan-2-yl]-3-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 5-[3-butylperoxy-1-[(2,6-dimethylcyclohexyl)methyl]-2-isocyano-propyl]-3-(p-tolyl)-1H-1,2,4-triazole Formula: C26H38N4O2 MolecularWeight: 438.60552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOOCC(C(CC1C(CCCC1C)C)C2=NC(=NN2)C3=CC=C(C=C3)C)[N+]#[C-]

Isomeric SMILES

CCCCOOCC(C(CC1C(CCCC1C)C)C2=NC(=NN2)C3=CC=C(C=C3)C)[N+]#[C-]

InChI

InChI=1S/C26H38N4O2/c1-6-7-15-31-32-17-24(27-5)23(16-22-19(3)9-8-10-20(22)4)26-28-25(29-30-26)21-13-11-18(2)12-14-21/h11-14,19-20,22-24H,6-10,15-17H2,1-4H3,(H,28,29,30)