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

Systemtic Name: 2-[[5-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(2-bromo-4-chloro-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-bromo-4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(2-bromo-4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-bromo-4-chloro-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H10BrClN3O3S- MolecularWeight: 391.6481

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)[O-])COC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)[O-])COC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C12H11BrClN3O3S/c1-17-10(15-16-12(17)21-6-11(18)19)5-20-9-3-2-7(14)4-8(9)13/h2-4H,5-6H2,1H3,(H,18,19)/p-1