3-(4-tert-butylphenyl)-5-[5-(2-phenylethynyl)pyridin-3-yl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-[5-(2-phenylethynyl)pyridin-3-yl]-1,2,4-oxadiazole Openeye Name: 3-(4-tert-butylphenyl)-5-[5-(2-phenylethynyl)-3-pyridyl]-1,2,4-oxadiazole CAS Name: 3-(4-tert-butylphenyl)-5-[5-(2-phenylethynyl)-3-pyridinyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-tert-butylphenyl)-5-[5-(2-phenylethynyl)pyridin-3-yl]-1,2,4-oxadiazole Traditional Name: 3-(4-tert-butylphenyl)-5-[5-(2-phenylethynyl)-3-pyridyl]-1,2,4-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=NOC(=N2)C3=CN=CC(=C3)C#CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NOC(=N2)C3=CN=CC(=C3)C#CC4=CC=CC=C4

InChI

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