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

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-5-phenyl-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-5-phenyl-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=CC=C4)C

Isomeric SMILES

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

InChI

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