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

Systemtic Name: 4-cyclopropyl-2-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Openeye Name: 4-cyclopropyl-2-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-pyridin-3-yl-1,2,4-triazole-3-thione Traditional Name: 4-cyclopropyl-2-[[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione Formula: C23H30N6S+2 MolecularWeight: 422.5895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)C5CC5

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)C5CC5

InChI

InChI=1S/C23H28N6S/c1-18-5-2-3-6-20(18)16-26-11-13-27(14-12-26)17-28-23(30)29(21-8-9-21)22(25-28)19-7-4-10-24-15-19/h2-7,10,15,21H,8-9,11-14,16-17H2,1H3/p+2