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

Systemtic Name: 4-ethyl-3-[1-(3-methylphenoxy)ethyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-ethyl-3-[1-(3-methylphenoxy)ethyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-ethyl-3-[1-(3-methylphenoxy)ethyl]-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 4-ethyl-3-[1-(3-methylphenoxy)ethyl]-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-ethyl-3-[1-(3-methylphenoxy)ethyl]-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:

CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C(C)OC3=CC=CC(=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCN2C=C(C=N2)[N+](=O)[O-])C(C)OC3=CC=CC(=C3)C

InChI

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