2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-[(4-bromanyl-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole Openeye Name: 2-[(4-bromo-2,5-dimethoxy-phenyl)methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole CAS Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methylthio]-5-(1-pyrrolidinylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-[(4-bromo-2,5-dimethoxyphenyl)methylsulfanyl]-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole Traditional Name: 2-[(4-bromo-2,5-dimethoxy-benzyl)thio]-5-(pyrrolidinomethyl)-1,3,4-oxadiazole Formula: C16H20BrN3O3S MolecularWeight: 414.3173

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1CSC2=NN=C(O2)CN3CCCC3)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1CSC2=NN=C(O2)CN3CCCC3)OC)Br

InChI

InChI=1S/C16H20BrN3O3S/c1-21-13-8-12(17)14(22-2)7-11(13)10-24-16-19-18-15(23-16)9-20-5-3-4-6-20/h7-8H,3-6,9-10H2,1-2H3