1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(1,3,4-thiadiazol-2-ylthio)ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(1,3,4-thiadiazol-2-ylthio)ethanone Formula: C21H23N4OS2+ MolecularWeight: 411.56352

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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=CS4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NN=CS4

InChI

InChI=1S/C21H22N4OS2/c26-19(15-27-21-23-22-16-28-21)24-11-13-25(14-12-24)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,16,20H,11-15H2/p+1