2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(4-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-methyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[(4-p-anisylpiperazine-1,4-diium-1-yl)methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H28N6OS+2 MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)OC)C4=CC=NC=C4

InChI

InChI=1S/C21H26N6OS/c1-24-20(18-7-9-22-10-8-18)23-27(21(24)29)16-26-13-11-25(12-14-26)15-17-3-5-19(28-2)6-4-17/h3-10H,11-16H2,1-2H3/p+2