6,8-bis(chloranyl)-2-[[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-thione

Systemtic Name: 6,8-bis(chloranyl)-2-[[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-thione Openeye Name: 6,8-dichloro-2-[[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-thione CAS Name: 6,8-dichloro-2-[[4-[[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-piperazinyl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-thione IUPAC Name: 6,8-dichloro-2-[[4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-thione Traditional Name: 6,8-dichloro-2-[[4-[[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazino]methyl]-1H-[1,2,4]triazolo[4,3-a]pyridin-4-ium-3-thione Formula: C18H18Cl2N7OS2+ MolecularWeight: 483.41782

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=NO2)C3=CSC=C3)CN4C(=S)[N+]5=CC(=CC(=C5N4)Cl)Cl

Isomeric SMILES

C1CN(CCN1CC2=NC(=NO2)C3=CSC=C3)CN4C(=S)[N+]5=CC(=CC(=C5N4)Cl)Cl

InChI

InChI=1S/C18H17Cl2N7OS2/c19-13-7-14(20)17-22-27(18(29)26(17)8-13)11-25-4-2-24(3-5-25)9-15-21-16(23-28-15)12-1-6-30-10-12/h1,6-8,10H,2-5,9,11H2/p+1