5-(furan-2-yl)-2-[[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione

Systemtic Name: 5-(furan-2-yl)-2-[[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 5-(2-furyl)-2-[[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 5-(2-furanyl)-2-[[4-(3-methyl-5-nitro-4-imidazolyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 5-(furan-2-yl)-2-[[4-(3-methyl-5-nitroimidazol-4-yl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 5-(2-furyl)-2-[[4-(3-methyl-5-nitro-imidazol-4-yl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C21H23N8O3S+ MolecularWeight: 467.52412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CC=CO4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4=CC=CO4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H22N8O3S/c1-24-14-22-19(29(30)31)20(24)26-11-9-25(10-12-26)15-27-21(33)28(16-6-3-2-4-7-16)18(23-27)17-8-5-13-32-17/h2-8,13-14H,9-12,15H2,1H3/p+1