2-(1,3-benzodioxol-5-yl)-5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-1,3,4-oxadiazole Formula: C18H13BrN2O5S MolecularWeight: 449.27522

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)Br)CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C18H13BrN2O5S/c19-12-7-16-15(22-3-4-23-16)6-11(12)8-27-18-21-20-17(26-18)10-1-2-13-14(5-10)25-9-24-13/h1-2,5-7H,3-4,8-9H2