5-[[4-methyl-2,6-bis(2-methylbutan-2-yl)cyclohexyl]methyl]-3-phenyl-1H-1,2,4-triazole

Systemtic Name: 5-[[4-methyl-2,6-bis(2-methylbutan-2-yl)cyclohexyl]methyl]-3-phenyl-1H-1,2,4-triazole Openeye Name: 5-[[2,6-bis(1,1-dimethylpropyl)-4-methyl-cyclohexyl]methyl]-3-phenyl-1H-1,2,4-triazole CAS Name: 5-[[4-methyl-2,6-bis(2-methylbutan-2-yl)cyclohexyl]methyl]-3-phenyl-1H-1,2,4-triazole IUPAC Name: 5-[[4-methyl-2,6-bis(2-methylbutan-2-yl)cyclohexyl]methyl]-3-phenyl-1H-1,2,4-triazole Traditional Name: 5-[(2,6-ditert-amyl-4-methyl-cyclohexyl)methyl]-3-phenyl-1H-1,2,4-triazole Formula: C26H41N3 MolecularWeight: 395.62384

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CC(CC(C1CC2=NC(=NN2)C3=CC=CC=C3)C(C)(C)CC)C

Isomeric SMILES

CCC(C)(C)C1CC(CC(C1CC2=NC(=NN2)C3=CC=CC=C3)C(C)(C)CC)C

InChI

InChI=1S/C26H41N3/c1-8-25(4,5)21-15-18(3)16-22(26(6,7)9-2)20(21)17-23-27-24(29-28-23)19-13-11-10-12-14-19/h10-14,18,20-22H,8-9,15-17H2,1-7H3,(H,27,28,29)