2-[(4-bromophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole

Systemtic Name: 2-[(4-bromophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Openeye Name: 2-[(4-bromophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole CAS Name: 2-[(4-bromophenyl)methylthio]-5-[(2S)-2-pyrrolidin-1-iumyl]-1,3,4-oxadiazole IUPAC Name: 2-[(4-bromophenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Traditional Name: 2-[(4-bromobenzyl)thio]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Formula: C13H15BrN3OS+ MolecularWeight: 341.2467

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=NN=C(O2)SCC3=CC=C(C=C3)Br

Isomeric SMILES

C1C[C@H]([NH2+]C1)C2=NN=C(O2)SCC3=CC=C(C=C3)Br

InChI

InChI=1S/C13H14BrN3OS/c14-10-5-3-9(4-6-10)8-19-13-17-16-12(18-13)11-2-1-7-15-11/h3-6,11,15H,1-2,7-8H2/p+1/t11-/m0/s1