1-[4-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[5-(4-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[5-(4-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C15H18BrN4O2S+ MolecularWeight: 398.29802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C15H17BrN4O2S/c1-11(21)19-8-6-18(7-9-19)10-20-15(23)22-14(17-20)12-2-4-13(16)5-3-12/h2-5H,6-10H2,1H3/p+1