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

Systemtic Name: ethyl 2-[[5-[(4-bromanylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate Openeye Name: ethyl 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methyl-propanoate CAS Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-2-methylpropanoate Traditional Name: 2-[[5-[(4-bromophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-2-methyl-propionic acid ethyl ester Formula: C17H22BrN3O3S MolecularWeight: 428.34388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)(C)C(=O)OCC)COC2=CC=C(C=C2)Br

Isomeric SMILES

CCN1C(=NN=C1SC(C)(C)C(=O)OCC)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H22BrN3O3S/c1-5-21-14(11-24-13-9-7-12(18)8-10-13)19-20-16(21)25-17(3,4)15(22)23-6-2/h7-10H,5-6,11H2,1-4H3