2-(4-tert-butylphenyl)-5-[4-(2-pyridin-2-ylethynyl)phenyl]-1,3,4-oxadiazole

Systemtic Name: 2-(4-tert-butylphenyl)-5-[4-(2-pyridin-2-ylethynyl)phenyl]-1,3,4-oxadiazole Openeye Name: 2-(4-tert-butylphenyl)-5-[4-[2-(2-pyridyl)ethynyl]phenyl]-1,3,4-oxadiazole CAS Name: 2-(4-tert-butylphenyl)-5-[4-[2-(2-pyridinyl)ethynyl]phenyl]-1,3,4-oxadiazole IUPAC Name: 2-(4-tert-butylphenyl)-5-[4-(2-pyridin-2-ylethynyl)phenyl]-1,3,4-oxadiazole Traditional Name: 2-(4-tert-butylphenyl)-5-[4-[2-(2-pyridyl)ethynyl]phenyl]-1,3,4-oxadiazole Formula: C25H21N3O MolecularWeight: 379.45374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C#CC4=CC=CC=N4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C25H21N3O/c1-25(2,3)21-14-12-20(13-15-21)24-28-27-23(29-24)19-10-7-18(8-11-19)9-16-22-6-4-5-17-26-22/h4-8,10-15,17H,1-3H3