2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-5-cyclopropyl-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-5-cyclopropyl-1H-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-5-cyclopropyl-1H-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-5-cyclopropyl-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-cyclopropyl-1H-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-5-cyclopropyl-1H-1,2,4-triazole-3-thione Formula: C16H20ClN6O2S+ MolecularWeight: 395.887

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=S)N(N2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CC1C2=NC(=S)N(N2)C[NH+]3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H19ClN6O2S/c17-12-3-4-13(14(9-12)23(24)25)21-7-5-20(6-8-21)10-22-16(26)18-15(19-22)11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,18,19,26)/p+1