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

Systemtic Name: 2-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,2,4-triazole-3-thione Openeye Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,2,4-triazole-3-thione CAS Name: 2-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]methyl]-4,5-dimethyl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,2,4-triazole-3-thione Traditional Name: 2-[[4-(4-chloro-2-nitro-phenyl)piperazino]methyl]-4,5-dimethyl-1,2,4-triazole-3-thione Formula: C15H19ClN6O2S MolecularWeight: 382.86836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)N1C)CN2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=S)N1C)CN2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H19ClN6O2S/c1-11-17-21(15(25)18(11)2)10-19-5-7-20(8-6-19)13-4-3-12(16)9-14(13)22(23)24/h3-4,9H,5-8,10H2,1-2H3