3,5-bis[[3-(bromomethyl)-5-tert-butyl-phenyl]methyl]-1H-1,2,4-triazole

Systemtic Name: 3,5-bis[[3-(bromomethyl)-5-tert-butyl-phenyl]methyl]-1H-1,2,4-triazole Openeye Name: 3,5-bis[[3-(bromomethyl)-5-tert-butyl-phenyl]methyl]-1H-1,2,4-triazole CAS Name: 3,5-bis[[3-(bromomethyl)-5-tert-butylphenyl]methyl]-1H-1,2,4-triazole IUPAC Name: 3,5-bis[[3-(bromomethyl)-5-tert-butylphenyl]methyl]-1H-1,2,4-triazole Traditional Name: 3,5-bis[3-(bromomethyl)-5-tert-butyl-benzyl]-1H-1,2,4-triazole Formula: C26H33Br2N3 MolecularWeight: 547.36832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CBr)CC2=NC(=NN2)CC3=CC(=CC(=C3)C(C)(C)C)CBr

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CBr)CC2=NC(=NN2)CC3=CC(=CC(=C3)C(C)(C)C)CBr

InChI

InChI=1S/C26H33Br2N3/c1-25(2,3)21-9-17(7-19(11-21)15-27)13-23-29-24(31-30-23)14-18-8-20(16-28)12-22(10-18)26(4,5)6/h7-12H,13-16H2,1-6H3,(H,29,30,31)