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

Systemtic Name: 3-[1-(4-bromanylphenoxy)ethyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[1-(4-bromophenoxy)ethyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[1-(4-bromophenoxy)ethyl]-4-ethyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[1-(4-bromophenoxy)ethyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[1-(4-bromophenoxy)ethyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C16H17BrN6O3S MolecularWeight: 453.31358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN6O3S/c1-3-22-15(11(2)26-14-6-4-12(17)5-7-14)19-20-16(22)27-10-21-9-13(8-18-21)23(24)25/h4-9,11H,3,10H2,1-2H3