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

Systemtic Name: 4-ethyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-pyridin-4-yl-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-5-(4-pyridyl)-1,2,4-triazole-3-thione Formula: C21H27N6OS+ MolecularWeight: 411.54368

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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=NC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H26N6OS/c1-3-26-20(17-8-10-22-11-9-17)23-27(21(26)29)16-24-12-14-25(15-13-24)18-4-6-19(28-2)7-5-18/h4-11H,3,12-16H2,1-2H3/p+1