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

Systemtic Name: 4-ethyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-ethyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-ethyl-2-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-ethyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-ethyl-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-thione Formula: C15H21N6O2S+ MolecularWeight: 349.43124

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C=NN(C1=S)C[NH+]2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H20N6O2S/c1-2-18-11-16-20(15(18)24)12-17-7-9-19(10-8-17)13-3-5-14(6-4-13)21(22)23/h3-6,11H,2,7-10,12H2,1H3/p+1