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

Systemtic Name: ethyl 2-[[5-[(4-bromanylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetic acid ethyl ester Formula: C15H18BrN3O3S MolecularWeight: 400.29072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC)COC2=CC=C(C=C2)Br

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H18BrN3O3S/c1-3-19-13(9-22-12-7-5-11(16)6-8-12)17-18-15(19)23-10-14(20)21-4-2/h5-8H,3-4,9-10H2,1-2H3