1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazin-4-iumyl]-2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]ethanone Traditional Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]ethanone Formula: C19H29N4OS3+ MolecularWeight: 425.65476

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NSC(=N1)SCC(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSC1=NSC(=N1)SCC(=O)N2CC[NH+](CC2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H28N4OS3/c1-25-17-20-18(27-21-17)26-12-16(24)22-2-4-23(5-3-22)19-9-13-6-14(10-19)8-15(7-13)11-19/h13-15H,2-12H2,1H3/p+1