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

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(p-tolyl)-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(4-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 5-methyl-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-4-(p-tolyl)-1,2,4-triazole-3-thione Formula: C23H30N5OS+ MolecularWeight: 424.5822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5OS/c1-4-29-22-8-6-5-7-21(22)26-15-13-25(14-16-26)17-27-23(30)28(19(3)24-27)20-11-9-18(2)10-12-20/h5-12H,4,13-17H2,1-3H3/p+1