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

Systemtic Name: 2-[[5-[(2-bromanyl-4-ethyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(2-bromo-4-ethyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-bromo-4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(2-bromo-4-ethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-bromo-4-ethyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C14H15BrN3O3S- MolecularWeight: 385.2562

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC2=NN=C(N2C)SCC(=O)[O-])Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC2=NN=C(N2C)SCC(=O)[O-])Br

InChI

InChI=1S/C14H16BrN3O3S/c1-3-9-4-5-11(10(15)6-9)21-7-12-16-17-14(18(12)2)22-8-13(19)20/h4-6H,3,7-8H2,1-2H3,(H,19,20)/p-1