2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-(4-bromophenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-5-(4-bromophenyl)-1,3,4-oxadiazole Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-5-(4-bromophenyl)-1,3,4-oxadiazole CAS Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-5-(4-bromophenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-5-(4-bromophenyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-bromo-4,5-dimethoxy-benzyl)thio]-5-(4-bromophenyl)-1,3,4-oxadiazole Formula: C17H14Br2N2O3S MolecularWeight: 486.17766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=NN=C(O2)C3=CC=C(C=C3)Br)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=NN=C(O2)C3=CC=C(C=C3)Br)Br)OC

InChI

InChI=1S/C17H14Br2N2O3S/c1-22-14-7-11(13(19)8-15(14)23-2)9-25-17-21-20-16(24-17)10-3-5-12(18)6-4-10/h3-8H,9H2,1-2H3