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

Systemtic Name: 4-methyl-2-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Openeye Name: 4-methyl-2-[[4-(6-nitro-3-pyridyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 4-methyl-2-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 4-methyl-2-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione Traditional Name: 4-methyl-2-[[4-(6-nitro-3-pyridyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C13H17N7O2S MolecularWeight: 335.38478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN(C1=S)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H17N7O2S/c1-16-9-15-19(13(16)23)10-17-4-6-18(7-5-17)11-2-3-12(14-8-11)20(21)22/h2-3,8-9H,4-7,10H2,1H3