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

Systemtic Name: 5-(2-methoxyphenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Openeye Name: 5-(2-methoxyphenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione CAS Name: 5-(2-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-1,2,4-triazole-3-thione IUPAC Name: 5-(2-methoxyphenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Traditional Name: 5-(2-methoxyphenyl)-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-1,2,4-triazole-3-thione Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C4=CC=CC=C4OC

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C4=CC=CC=C4OC

InChI

InChI=1S/C22H27N5O2S/c1-24-21(19-6-4-5-7-20(19)29-3)23-27(22(24)30)16-25-12-14-26(15-13-25)17-8-10-18(28-2)11-9-17/h4-11H,12-16H2,1-3H3/p+1