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

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C15H15ClN6O3S MolecularWeight: 394.836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN6O3S/c1-2-21-14(9-25-13-5-3-11(16)4-6-13)18-19-15(21)26-10-20-8-12(7-17-20)22(23)24/h3-8H,2,9-10H2,1H3