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

Systemtic Name: 4-ethyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-(4-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-thiophen-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[(4-pyridin-1-ium-4-ylpiperazin-1-ium-1-yl)methyl]-5-(2-thienyl)-1,2,4-triazole-3-thione Formula: C18H24N6S2+2 MolecularWeight: 388.55336

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C4=CC=CS4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)C4=CC=CS4

InChI

InChI=1S/C18H22N6S2/c1-2-23-17(16-4-3-13-26-16)20-24(18(23)25)14-21-9-11-22(12-10-21)15-5-7-19-8-6-15/h3-8,13H,2,9-12,14H2,1H3/p+2