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

Systemtic Name: methyl 2-[[5-[(4-bromanylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 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]acetic acid methyl ester IUPAC Name: methyl 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]acetic acid methyl ester Formula: C13H14BrN3O3S MolecularWeight: 372.23756

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)OC)COC2=CC=C(C=C2)Br

Isomeric SMILES

CN1C(=NN=C1SCC(=O)OC)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H14BrN3O3S/c1-17-11(7-20-10-5-3-9(14)4-6-10)15-16-13(17)21-8-12(18)19-2/h3-6H,7-8H2,1-2H3