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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN3O3S/c1-16(2,3)11-7-10(17)5-6-12(11)23-8-13-18-19-15(20(13)4)24-9-14(21)22/h5-7H,8-9H2,1-4H3,(H,21,22)/p-1