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

Systemtic Name: 4-ethyl-3-[(4-ethylphenoxy)methyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-[(4-ethylphenoxy)methyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-[(4-ethylphenoxy)methyl]-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-[(4-ethylphenoxy)methyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-[(4-ethylphenoxy)methyl]-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2=NN=C(N2CC)SCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O3S/c1-3-13-5-7-15(8-6-13)26-11-16-19-20-17(22(16)4-2)27-12-21-10-14(9-18-21)23(24)25/h5-10H,3-4,11-12H2,1-2H3