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

Systemtic Name: 3-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-[(4-chloro-3-methyl-phenoxy)methyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-5-[(4-nitro-1-pyrazolyl)methylthio]-1,2,4-triazole IUPAC Name: 3-[(4-chloro-3-methylphenoxy)methyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-[(4-chloro-3-methyl-phenoxy)methyl]-4-ethyl-5-[(4-nitropyrazol-1-yl)methylthio]-1,2,4-triazole Formula: C16H17ClN6O3S MolecularWeight: 408.86258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN6O3S/c1-3-22-15(9-26-13-4-5-14(17)11(2)6-13)19-20-16(22)27-10-21-8-12(7-18-21)23(24)25/h4-8H,3,9-10H2,1-2H3