2-(1,3-benzodioxol-5-yl)-5-[2-(4-bromanylphenoxy)ethylsulfanyl]-1,3,4-oxadiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[2-(4-bromanylphenoxy)ethylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-[2-(4-bromophenoxy)ethylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[2-(4-bromophenoxy)ethylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[2-(4-bromophenoxy)ethylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[2-(4-bromophenoxy)ethylthio]-1,3,4-oxadiazole Formula: C17H13BrN2O4S MolecularWeight: 421.26512

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCCOC4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)SCCOC4=CC=C(C=C4)Br

InChI

InChI=1S/C17H13BrN2O4S/c18-12-2-4-13(5-3-12)21-7-8-25-17-20-19-16(24-17)11-1-6-14-15(9-11)23-10-22-14/h1-6,9H,7-8,10H2