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

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

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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=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC=C(C=C3)C#CC4=CN=CC=C4

InChI

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