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

Systemtic Name: 3-(4-bromanylthiophen-2-yl)-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-4-ethyl-1,2,4-triazole Openeye Name: 3-(4-bromo-2-thienyl)-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylsulfanyl]-4-ethyl-1,2,4-triazole CAS Name: 3-(4-bromo-2-thiophenyl)-5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methylthio]-4-ethyl-1,2,4-triazole IUPAC Name: 3-(4-bromothiophen-2-yl)-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-(4-bromo-2-thienyl)-5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methylthio]-4-ethyl-1,2,4-triazole Formula: C14H15BrN6O2S2 MolecularWeight: 443.3419

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCN2C(=C(C(=N2)C)[N+](=O)[O-])C)C3=CC(=CS3)Br

Isomeric SMILES

CCN1C(=NN=C1SCN2C(=C(C(=N2)C)[N+](=O)[O-])C)C3=CC(=CS3)Br

InChI

InChI=1S/C14H15BrN6O2S2/c1-4-19-13(11-5-10(15)6-24-11)16-17-14(19)25-7-20-9(3)12(21(22)23)8(2)18-20/h5-6H,4,7H2,1-3H3