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

Systemtic Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=NNC(=S)N3C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=NNC(=S)N3C4=CC=CC=C4

InChI

InChI=1S/C21H25N5OS/c1-2-27-19-11-7-6-10-18(19)25-14-12-24(13-15-25)16-20-22-23-21(28)26(20)17-8-4-3-5-9-17/h3-11H,2,12-16H2,1H3,(H,23,28)/p+1