3-[(4-nitropyrazol-1-yl)methylsulfanyl]-4,5-di(propan-2-yl)-1,2,4-triazole

Systemtic Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]-4,5-di(propan-2-yl)-1,2,4-triazole Openeye Name: 3,4-diisopropyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-nitro-1-pyrazolyl)methylthio]-4,5-di(propan-2-yl)-1,2,4-triazole IUPAC Name: 3-[(4-nitropyrazol-1-yl)methylsulfanyl]-4,5-di(propan-2-yl)-1,2,4-triazole Traditional Name: 3,4-diisopropyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C12H18N6O2S MolecularWeight: 310.37532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C(C)C)SCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=NN=C(N1C(C)C)SCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C12H18N6O2S/c1-8(2)11-14-15-12(17(11)9(3)4)21-7-16-6-10(5-13-16)18(19)20/h5-6,8-9H,7H2,1-4H3