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

Systemtic Name: 3-[(4-tert-butylphenoxy)methyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenoxy)methyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenoxy)methyl]-4-ethyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenoxy)methyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(4-tert-butylphenoxy)methyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C19H24N6O3S MolecularWeight: 416.49726

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])COC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C19H24N6O3S/c1-5-24-17(12-28-16-8-6-14(7-9-16)19(2,3)4)21-22-18(24)29-13-23-11-15(10-20-23)25(26)27/h6-11H,5,12-13H2,1-4H3