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

Systemtic Name: 3-[[5-[(4-bromanylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-[(4-bromophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]propionate Formula: C13H13BrN3O3S- MolecularWeight: 371.22962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCC(=O)[O-])COC2=CC=C(C=C2)Br

Isomeric SMILES

CN1C(=NN=C1SCCC(=O)[O-])COC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H14BrN3O3S/c1-17-11(8-20-10-4-2-9(14)3-5-10)15-16-13(17)21-7-6-12(18)19/h2-5H,6-8H2,1H3,(H,18,19)/p-1