4-ethyl-3-methylsulfanyl-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1,2,4-triazole

Systemtic Name: 4-ethyl-3-methylsulfanyl-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-methylsulfanyl-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1,2,4-triazole CAS Name: 4-ethyl-3-(methylthio)-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1,2,4-triazole IUPAC Name: 4-ethyl-3-methylsulfanyl-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-(methylthio)-5-[(3-nitro-1,2,4-triazol-1-yl)methyl]-1,2,4-triazole Formula: C8H11N7O2S MolecularWeight: 269.28364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=NN=C1SC)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C8H11N7O2S/c1-3-14-6(10-11-8(14)18-2)4-13-5-9-7(12-13)15(16)17/h5H,3-4H2,1-2H3