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

Systemtic Name: 2-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(m-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(3-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C23H32N6S+2 MolecularWeight: 424.60538

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)C[NH+]2CC[NH+](CC2)CC3=CC=CC(=C3)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+]2CC[NH+](CC2)CC3=CC=CC(=C3)C)C4=CC=NC=C4

InChI

InChI=1S/C23H30N6S/c1-3-11-28-22(21-7-9-24-10-8-21)25-29(23(28)30)18-27-14-12-26(13-15-27)17-20-6-4-5-19(2)16-20/h4-10,16H,3,11-15,17-18H2,1-2H3/p+2