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

Systemtic Name: 2-[[5-[(2-bromanyl-4-propyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 2-[[5-[(2-bromo-4-propyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-[(2-bromo-4-propylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetate IUPAC Name: 2-[[5-[(2-bromo-4-propylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-[(2-bromo-4-propyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetate Formula: C15H17BrN3O3S- MolecularWeight: 399.28278

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC2=NN=C(N2C)SCC(=O)[O-])Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC2=NN=C(N2C)SCC(=O)[O-])Br

InChI

InChI=1S/C15H18BrN3O3S/c1-3-4-10-5-6-12(11(16)7-10)22-8-13-17-18-15(19(13)2)23-9-14(20)21/h5-7H,3-4,8-9H2,1-2H3,(H,20,21)/p-1