2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-pyridin-1-ium-2-ylpiperazino)methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione Formula: C16H19N6S2+ MolecularWeight: 359.49226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=CS3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CN2C(=S)N=C(N2)C3=CC=CS3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C16H18N6S2/c23-16-18-15(13-4-3-11-24-13)19-22(16)12-20-7-9-21(10-8-20)14-5-1-2-6-17-14/h1-6,11H,7-10,12H2,(H,18,19,23)/p+1