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

Systemtic Name: 4-ethyl-2-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C22H30N6S+2 MolecularWeight: 410.5788

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)C[NH+]2CC[NH+](CC2)CC3=CC=CC(=C3)C)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CC[NH+](CC2)CC3=CC=CC(=C3)C)C4=CC=NC=C4

InChI

InChI=1S/C22H28N6S/c1-3-27-21(20-7-9-23-10-8-20)24-28(22(27)29)17-26-13-11-25(12-14-26)16-19-6-4-5-18(2)15-19/h4-10,15H,3,11-14,16-17H2,1-2H3/p+2