2-(3-bromanyl-2-ethynyl-phenyl)-5-(4-octoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-(3-bromanyl-2-ethynyl-phenyl)-5-(4-octoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-(3-bromo-2-ethynyl-phenyl)-5-(4-octoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-(3-bromo-2-ethynylphenyl)-5-(4-octoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-(3-bromo-2-ethynylphenyl)-5-(4-octoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-(3-bromo-2-ethynyl-phenyl)-5-(4-octoxyphenyl)-1,3,4-oxadiazole Formula: C24H25BrN2O2 MolecularWeight: 453.3715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(O2)C3=C(C(=CC=C3)Br)C#C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NN=C(O2)C3=C(C(=CC=C3)Br)C#C

InChI

InChI=1S/C24H25BrN2O2/c1-3-5-6-7-8-9-17-28-19-15-13-18(14-16-19)23-26-27-24(29-23)21-11-10-12-22(25)20(21)4-2/h2,10-16H,3,5-9,17H2,1H3