2-[[5-[(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-[(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(4-bromo-2-isopropyl-5-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(4-bromo-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-bromo-5-methyl-2-propan-2-ylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(4-bromo-2-isopropyl-5-methyl-phenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C16H20BrN3O3S MolecularWeight: 414.3173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC2=NN=C(N2C)SCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC2=NN=C(N2C)SCC(=O)O

InChI

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