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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=[NH+]C=C3)CC4=CC=CS4

InChI

InChI=1S/C18H22N6S2/c1-21-17(13-16-3-2-12-26-16)20-24(18(21)25)14-22-8-10-23(11-9-22)15-4-6-19-7-5-15/h2-7,12H,8-11,13-14H2,1H3/p+2