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

Systemtic Name: 3,4-diethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3,4-diethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3,4-diethyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 3,4-diethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3,4-diethyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C10H14N6O2S MolecularWeight: 282.32216

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC)SCN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN=C(N1CC)SCN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C10H14N6O2S/c1-3-9-12-13-10(15(9)4-2)19-7-14-6-8(5-11-14)16(17)18/h5-6H,3-4,7H2,1-2H3