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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCN(CC3)C4=CC=CC=C4OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCN(CC3)C4=CC=CC=C4OCC

InChI

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