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

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

Isomeric SMILES

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

InChI

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