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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC)SC1=NN=C(N1CC)COC2=CC=C(C=C2)Br

Isomeric SMILES

CCC(C(=O)OCC)SC1=NN=C(N1CC)COC2=CC=C(C=C2)Br

InChI

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