3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazole

Systemtic Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazole Openeye Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazole CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylthio]-4-ethyl-5-(1-ethyl-3-pyrazolyl)-1,2,4-triazole IUPAC Name: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazole Traditional Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylthio]-4-ethyl-5-(1-ethylpyrazol-3-yl)-1,2,4-triazole Formula: C15H20N8O2S MolecularWeight: 376.4367

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)C2=NN=C(N2CC)SCN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCN1C=CC(=N1)C2=NN=C(N2CC)SCN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C15H20N8O2S/c1-5-20-8-7-12(19-20)14-16-17-15(21(14)6-2)26-9-22-11(4)13(23(24)25)10(3)18-22/h7-8H,5-6,9H2,1-4H3