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

Systemtic Name: 4-ethyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(o-tolyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(2-methylphenyl)-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(o-tolyl)-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)C4=CC=CC=C4C

Isomeric SMILES

CCN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C4=CC=CC=C4C

InChI

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