4-(3-morpholin-4-ylpropyl)-3-[1-(4-nitropyrazol-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3-morpholin-4-ylpropyl)-3-[1-(4-nitropyrazol-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-[1-methyl-2-(4-nitropyrazol-1-yl)ethyl]-4-(3-morpholinopropyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[3-(4-morpholinyl)propyl]-3-[1-(4-nitro-1-pyrazolyl)propan-2-yl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3-morpholin-4-ylpropyl)-3-[1-(4-nitropyrazol-1-yl)propan-2-yl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-[1-methyl-2-(4-nitropyrazol-1-yl)ethyl]-4-(3-morpholinopropyl)-1H-1,2,4-triazole-5-thione Formula: C15H23N7O3S MolecularWeight: 381.45322

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C=C(C=N1)[N+](=O)[O-])C2=NNC(=S)N2CCCN3CCOCC3

Isomeric SMILES

CC(CN1C=C(C=N1)[N+](=O)[O-])C2=NNC(=S)N2CCCN3CCOCC3

InChI

InChI=1S/C15H23N7O3S/c1-12(10-20-11-13(9-16-20)22(23)24)14-17-18-15(26)21(14)4-2-3-19-5-7-25-8-6-19/h9,11-12H,2-8,10H2,1H3,(H,18,26)