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

Systemtic Name: 2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione Formula: C16H20N6S2+2 MolecularWeight: 360.5002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N=C(N2)C3=CC=CS3)C4=CC=[NH+]C=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N=C(N2)C3=CC=CS3)C4=CC=[NH+]C=C4

InChI

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