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

Systemtic Name: methyl 2-[[5-[(4-bromanylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: methyl 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propanoic acid methyl ester IUPAC Name: methyl 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]propionic acid methyl ester Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C(=O)OC)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H18BrN3O3S/c1-13(18(24)25-2)27-19-22-21-17(23(19)15-6-4-3-5-7-15)12-26-16-10-8-14(20)9-11-16/h3-11,13H,12H2,1-2H3