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

Systemtic Name: 2-[[4-(5-bromanyl-2-fluoranyl-phenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(5-bromo-2-fluoro-phenyl)-5-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(5-bromo-2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(5-bromo-2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(5-bromo-2-fluoro-phenyl)-5-isopropyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H13BrFN3O2S MolecularWeight: 374.228623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C2=C(C=CC(=C2)Br)F)SCC(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1C2=C(C=CC(=C2)Br)F)SCC(=O)O

InChI

InChI=1S/C13H13BrFN3O2S/c1-7(2)12-16-17-13(21-6-11(19)20)18(12)10-5-8(14)3-4-9(10)15/h3-5,7H,6H2,1-2H3,(H,19,20)