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

Systemtic Name: 2-[[5-[(2-bromanyl-4-propyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(2-bromo-4-propyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-bromo-4-propylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(2-bromo-4-propylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-bromo-4-propyl-phenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]acetate Formula: C16H19BrN3O3S- MolecularWeight: 413.30936

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC2=NN=C(N2CC)SCC(=O)[O-])Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC2=NN=C(N2CC)SCC(=O)[O-])Br

InChI

InChI=1S/C16H20BrN3O3S/c1-3-5-11-6-7-13(12(17)8-11)23-9-14-18-19-16(20(14)4-2)24-10-15(21)22/h6-8H,3-5,9-10H2,1-2H3,(H,21,22)/p-1