4,5-dimethyl-2-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 4,5-dimethyl-2-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4,5-dimethyl-2-[[4-(6-nitro-3-pyridyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4,5-dimethyl-2-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4,5-dimethyl-2-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4,5-dimethyl-2-[[4-(6-nitro-3-pyridyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C14H19N7O2S MolecularWeight: 349.41136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N7O2S/c1-11-16-20(14(24)17(11)2)10-18-5-7-19(8-6-18)12-3-4-13(15-9-12)21(22)23/h3-4,9H,5-8,10H2,1-2H3