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

Systemtic Name: 2-[[5-[(4-bromanyl-5-methyl-2-propan-2-yl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-[(4-bromo-2-isopropyl-5-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-[(4-bromo-5-methyl-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-[(4-bromo-5-methyl-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-[(4-bromo-2-isopropyl-5-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C15H18BrN3O3S MolecularWeight: 400.29072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C(C)C)OCC2=NC(=NN2)SCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1Br)C(C)C)OCC2=NC(=NN2)SCC(=O)O

InChI

InChI=1S/C15H18BrN3O3S/c1-8(2)10-5-11(16)9(3)4-12(10)22-6-13-17-15(19-18-13)23-7-14(20)21/h4-5,8H,6-7H2,1-3H3,(H,20,21)(H,17,18,19)