2-[[5-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: 2-[[5-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(2-bromo-4-chloro-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-bromo-4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(2-bromo-4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-bromo-4-chloro-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C13H12BrClN3O3S- MolecularWeight: 405.67468

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)[O-])COC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)[O-])COC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C13H13BrClN3O3S/c1-2-18-11(16-17-13(18)22-7-12(19)20)6-21-10-4-3-8(15)5-9(10)14/h3-5H,2,6-7H2,1H3,(H,19,20)/p-1