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

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C12H11BrN3O3S- MolecularWeight: 357.20304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN3O3S/c1-16-10(14-15-12(16)20-7-11(17)18)6-19-9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3,(H,17,18)/p-1