2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(4-methylphenyl)-1H-1,2,4-triazole-3-thione Traditional Name: 2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-5-(p-tolyl)-1H-1,2,4-triazole-3-thione Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)N=C(N3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)N=C(N3)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H27N5OS/c1-3-28-20-7-5-4-6-19(20)26-14-12-25(13-15-26)16-27-22(29)23-21(24-27)18-10-8-17(2)9-11-18/h4-11H,3,12-16H2,1-2H3,(H,23,24,29)/p+1