1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C13H17N6OS+ MolecularWeight: 305.37868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC=NN3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C13H16N6OS/c20-12(9-21-13-15-10-16-17-13)19-7-5-18(6-8-19)11-3-1-2-4-14-11/h1-4,10H,5-9H2,(H,15,16,17)/p+1