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

Systemtic Name: 4-methyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[4-(2-pyrazinyl)-1-piperazin-1-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C17H21N8S+ MolecularWeight: 369.46724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CN=C3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=NC=CN=C3)C4=CC=NC=C4

InChI

InChI=1S/C17H20N8S/c1-22-16(14-2-4-18-5-3-14)21-25(17(22)26)13-23-8-10-24(11-9-23)15-12-19-6-7-20-15/h2-7,12H,8-11,13H2,1H3/p+1