3-[3,5-bis(bromanyl)-4-methoxy-phenyl]-5-(dodecylsulfanylmethyl)-1,2,4-oxadiazole

Systemtic Name: 3-[3,5-bis(bromanyl)-4-methoxy-phenyl]-5-(dodecylsulfanylmethyl)-1,2,4-oxadiazole Openeye Name: 3-(3,5-dibromo-4-methoxy-phenyl)-5-(dodecylsulfanylmethyl)-1,2,4-oxadiazole CAS Name: 3-(3,5-dibromo-4-methoxyphenyl)-5-[(dodecylthio)methyl]-1,2,4-oxadiazole IUPAC Name: 3-(3,5-dibromo-4-methoxyphenyl)-5-(dodecylsulfanylmethyl)-1,2,4-oxadiazole Traditional Name: 3-(3,5-dibromo-4-methoxy-phenyl)-5-[(laurylthio)methyl]-1,2,4-oxadiazole Formula: C22H32Br2N2O2S MolecularWeight: 548.37468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC1=NC(=NO1)C2=CC(=C(C(=C2)Br)OC)Br

Isomeric SMILES

CCCCCCCCCCCCSCC1=NC(=NO1)C2=CC(=C(C(=C2)Br)OC)Br

InChI

InChI=1S/C22H32Br2N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-29-16-20-25-22(26-28-20)17-14-18(23)21(27-2)19(24)15-17/h14-15H,3-13,16H2,1-2H3