5-[1-(4-ethyl-2,6-dimethyl-cyclohexyl)-3-isocyano-4-methylperoxy-butan-2-yl]-3-(4-methylphenyl)-1H-1,2,4-triazole

Systemtic Name: 5-[1-(4-ethyl-2,6-dimethyl-cyclohexyl)-3-isocyano-4-methylperoxy-butan-2-yl]-3-(4-methylphenyl)-1H-1,2,4-triazole Openeye Name: 5-[1-[(4-ethyl-2,6-dimethyl-cyclohexyl)methyl]-2-isocyano-3-methylperoxy-propyl]-3-(p-tolyl)-1H-1,2,4-triazole CAS Name: 5-[1-(4-ethyl-2,6-dimethylcyclohexyl)-3-isocyano-4-methyldioxybutan-2-yl]-3-(4-methylphenyl)-1H-1,2,4-triazole IUPAC Name: 5-[1-(4-ethyl-2,6-dimethylcyclohexyl)-3-isocyano-4-methylperoxybutan-2-yl]-3-(4-methylphenyl)-1H-1,2,4-triazole Traditional Name: 5-[1-[(4-ethyl-2,6-dimethyl-cyclohexyl)methyl]-2-isocyano-3-methylperoxy-propyl]-3-(p-tolyl)-1H-1,2,4-triazole Formula: C25H36N4O2 MolecularWeight: 424.57894

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C(C(C1)C)CC(C2=NC(=NN2)C3=CC=C(C=C3)C)C(COOC)[N+]#[C-])C

Isomeric SMILES

CCC1CC(C(C(C1)C)CC(C2=NC(=NN2)C3=CC=C(C=C3)C)C(COOC)[N+]#[C-])C

InChI

InChI=1S/C25H36N4O2/c1-7-19-12-17(3)21(18(4)13-19)14-22(23(26-5)15-31-30-6)25-27-24(28-29-25)20-10-8-16(2)9-11-20/h8-11,17-19,21-23H,7,12-15H2,1-4,6H3,(H,27,28,29)