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

Systemtic Name: 2-[[5-[(4-bromanylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C12H12BrN3O3S MolecularWeight: 358.21098

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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)