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

Systemtic Name: 4-ethyl-3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazole Openeye Name: 4-ethyl-3-isopropyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-[(4-nitro-1-pyrazolyl)methylthio]-5-propan-2-yl-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(4-nitropyrazol-1-yl)methylsulfanyl]-5-propan-2-yl-1,2,4-triazole Traditional Name: 4-ethyl-3-isopropyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C11H16N6O2S MolecularWeight: 296.34874

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C11H16N6O2S/c1-4-16-10(8(2)3)13-14-11(16)20-7-15-6-9(5-12-15)17(18)19/h5-6,8H,4,7H2,1-3H3