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

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(4-methoxyphenyl)-1,3,4-oxadiazole IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methylthio]-5-(4-methoxyphenyl)-1,3,4-oxadiazole Formula: C17H13BrN2O4S MolecularWeight: 421.26512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrN2O4S/c1-21-12-4-2-10(3-5-12)16-19-20-17(24-16)25-8-11-6-14-15(7-13(11)18)23-9-22-14/h2-7H,8-9H2,1H3