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

Systemtic Name: 2-[[4-(4-bromanyl-2-fluoranyl-phenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(4-bromo-2-fluoro-phenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(4-bromo-2-fluorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(4-bromo-2-fluorophenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(4-bromo-2-fluoro-phenyl)-5-cyclopropyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C13H11BrFN3O2S MolecularWeight: 372.212743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=C(C=C(C=C3)Br)F)SCC(=O)O

Isomeric SMILES

C1CC1C2=NN=C(N2C3=C(C=C(C=C3)Br)F)SCC(=O)O

InChI

InChI=1S/C13H11BrFN3O2S/c14-8-3-4-10(9(15)5-8)18-12(7-1-2-7)16-17-13(18)21-6-11(19)20/h3-5,7H,1-2,6H2,(H,19,20)