4-cyclopropyl-2-[[4-[(3-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-[(3-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-(m-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-(3-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-cyclopropyl-2-[[4-[(3-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-(3-pyridinyl)-1,2,4-triazole-3-thione IUPAC Name: 4-cyclopropyl-2-[[4-[(3-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-(3-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=C1)C[NH+]2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)C5CC5

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CN=CC=C4)C5CC5

InChI

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