3-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Openeye Name: 3-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione CAS Name: 3-[2-(5-methyl-3-nitro-1-pyrazolyl)ethyl]-4-[3-(4-morpholin-4-iumyl)propyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-4-(3-morpholin-4-ium-4-ylpropyl)-1H-1,2,4-triazole-5-thione Formula: C15H24N7O3S+ MolecularWeight: 382.46116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC2=NNC(=S)N2CCC[NH+]3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCC2=NNC(=S)N2CCC[NH+]3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H23N7O3S/c1-12-11-14(22(23)24)18-21(12)6-3-13-16-17-15(26)20(13)5-2-4-19-7-9-25-10-8-19/h11H,2-10H2,1H3,(H,17,26)/p+1