1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]ethanone Formula: C27H27N4O2S+ MolecularWeight: 471.59388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NN=C(O4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NN=C(O4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c32-24(20-34-27-29-28-26(33-27)23-14-8-3-9-15-23)30-16-18-31(19-17-30)25(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,25H,16-20H2/p+1