2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[2-(4-bromophenyl)sulfonylethylthio]-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-(2-brosylethylthio)-5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazole Formula: C18H17BrN2O5S2 MolecularWeight: 485.37198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN=C(O2)SCCS(=O)(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN=C(O2)SCCS(=O)(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C18H17BrN2O5S2/c1-24-13-5-8-15(16(11-13)25-2)17-20-21-18(26-17)27-9-10-28(22,23)14-6-3-12(19)4-7-14/h3-8,11H,9-10H2,1-2H3