2-(3-bromophenyl)-5-(3,5-ditert-butylphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(3-bromophenyl)-5-(3,5-ditert-butylphenyl)-1,3,4-oxadiazole Openeye Name: 2-(3-bromophenyl)-5-(3,5-ditert-butylphenyl)-1,3,4-oxadiazole CAS Name: 2-(3-bromophenyl)-5-(3,5-ditert-butylphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(3-bromophenyl)-5-(3,5-ditert-butylphenyl)-1,3,4-oxadiazole Traditional Name: 2-(3-bromophenyl)-5-(3,5-ditert-butylphenyl)-1,3,4-oxadiazole Formula: C22H25BrN2O MolecularWeight: 413.3507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)C2=NN=C(O2)C3=CC(=CC=C3)Br)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)C2=NN=C(O2)C3=CC(=CC=C3)Br)C(C)(C)C

InChI

InChI=1S/C22H25BrN2O/c1-21(2,3)16-10-15(11-17(13-16)22(4,5)6)20-25-24-19(26-20)14-8-7-9-18(23)12-14/h7-13H,1-6H3