2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole Formula: C18H15BrN2O5S MolecularWeight: 451.2911

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC4=C(C=C3Br)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(O2)SCC3=CC4=C(C=C3Br)OCO4)OC

InChI

InChI=1S/C18H15BrN2O5S/c1-22-13-4-3-10(5-14(13)23-2)17-20-21-18(26-17)27-8-11-6-15-16(7-12(11)19)25-9-24-15/h3-7H,8-9H2,1-2H3