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

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 4-benzyl-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-4-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-benzyl-2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2,4-triazole-3-thione Traditional Name: 4-benzyl-5-methyl-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-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)CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N5OS/c1-3-29-22-12-8-7-11-21(22)26-15-13-25(14-16-26)18-28-23(30)27(19(2)24-28)17-20-9-5-4-6-10-20/h4-12H,3,13-18H2,1-2H3/p+1