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

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-[[2-(2-pyrrolylidene)-3H-1,3,4-oxadiazol-5-yl]thio]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-[(2-pyrrol-2-ylidene-3H-1,3,4-oxadiazol-5-yl)thio]ethanone Formula: C25H26N5O2S+ MolecularWeight: 460.57124

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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=NNC(=C5C=CC=N5)O4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NNC(=C5C=CC=N5)O4

InChI

InChI=1S/C25H25N5O2S/c31-22(18-33-25-28-27-24(32-25)21-12-7-13-26-21)29-14-16-30(17-15-29)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,23,27H,14-18H2/p+1