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

Systemtic Name: 2-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]methyl]-5-phenyl-1H-1,2,4-triazole-3-thione Formula: C21H27N5S+2 MolecularWeight: 381.53758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5S/c1-17-7-5-6-10-19(17)15-24-11-13-25(14-12-24)16-26-21(27)22-20(23-26)18-8-3-2-4-9-18/h2-10H,11-16H2,1H3,(H,22,23,27)/p+2