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

Systemtic Name: 2-[[5-[(2-bromanyl-4-ethyl-phenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[4-allyl-5-[(2-bromo-4-ethyl-phenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-bromo-4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(2-bromo-4-ethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-allyl-5-[(2-bromo-4-ethyl-phenoxy)methyl]-1,2,4-triazol-3-yl]thio]acetate Formula: C16H17BrN3O3S- MolecularWeight: 411.29348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)[O-])Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC2=NN=C(N2CC=C)SCC(=O)[O-])Br

InChI

InChI=1S/C16H18BrN3O3S/c1-3-7-20-14(18-19-16(20)24-10-15(21)22)9-23-13-6-5-11(4-2)8-12(13)17/h3,5-6,8H,1,4,7,9-10H2,2H3,(H,21,22)/p-1