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

Systemtic Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-thiophen-2-yl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-(2-thienyl)-1H-1,2,4-triazole-3-thione Formula: C17H19N6O2S2+ MolecularWeight: 403.50176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N=C(N2)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N=C(N2)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O2S2/c24-23(25)14-5-3-13(4-6-14)21-9-7-20(8-10-21)12-22-17(26)18-16(19-22)15-2-1-11-27-15/h1-6,11H,7-10,12H2,(H,18,19,26)/p+1