2-[[4-[(2-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-[(2-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-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]-4-propyl-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-4-propyl-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(2-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-(2-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=C3C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN(C1=S)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C)C4=CC=NC=C4

InChI

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