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

Systemtic Name: 2-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Openeye Name: 4-isopropyl-2-[[4-(6-nitro-3-pyridyl)piperazin-1-yl]methyl]-1,2,4-triazole-3-thione CAS Name: 2-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione IUPAC Name: 2-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-4-propan-2-yl-1,2,4-triazole-3-thione Traditional Name: 4-isopropyl-2-[[4-(6-nitro-3-pyridyl)piperazino]methyl]-1,2,4-triazole-3-thione Formula: C15H21N7O2S MolecularWeight: 363.43794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NN(C1=S)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C=NN(C1=S)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H21N7O2S/c1-12(2)20-10-17-21(15(20)25)11-18-5-7-19(8-6-18)13-3-4-14(16-9-13)22(23)24/h3-4,9-10,12H,5-8,11H2,1-2H3