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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-5-[(2-bromanyl-4,5-diethoxy-phenyl)methylsulfanyl]-1,3,4-oxadiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-5-[(2-bromo-4,5-diethoxy-phenyl)methylsulfanyl]-1,3,4-oxadiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-5-[(2-bromo-4,5-diethoxyphenyl)methylthio]-1,3,4-oxadiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-5-[(2-bromo-4,5-diethoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-5-[(2-bromo-4,5-diethoxy-benzyl)thio]-1,3,4-oxadiazole Formula: C20H19BrN2O5S MolecularWeight: 479.34426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CSC2=NN=C(O2)C3=CC4=C(C=C3)OCO4)Br)OCC

InChI

InChI=1S/C20H19BrN2O5S/c1-3-24-17-8-13(14(21)9-18(17)25-4-2)10-29-20-23-22-19(28-20)12-5-6-15-16(7-12)27-11-26-15/h5-9H,3-4,10-11H2,1-2H3