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

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-1,2,4-triazole-3-thione Formula: C19H20ClN6O2S+ MolecularWeight: 431.9191

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN6O2S/c20-15-6-7-17(18(12-15)26(27)28)23-10-8-22(9-11-23)14-25-19(29)24(13-21-25)16-4-2-1-3-5-16/h1-7,12-13H,8-11,14H2/p+1