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

Systemtic Name: 4-ethyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(phenylmethyl)-1,2,4-triazole-3-thione Openeye Name: 5-benzyl-4-ethyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-(phenylmethyl)-1,2,4-triazole-3-thione IUPAC Name: 5-benzyl-4-ethyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-benzyl-4-ethyl-2-[[4-(4-methoxyphenyl)piperazin-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:

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

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