4-[3-(3-bromanyl-4-fluoranyl-phenyl)-5-sulfanidyl-1,2,4-triazol-4-yl]benzoate

Systemtic Name: 4-[3-(3-bromanyl-4-fluoranyl-phenyl)-5-sulfanidyl-1,2,4-triazol-4-yl]benzoate Openeye Name: 4-[3-(3-bromo-4-fluoro-phenyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate CAS Name: 4-[3-(3-bromo-4-fluorophenyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate IUPAC Name: 4-[3-(3-bromo-4-fluorophenyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate Traditional Name: 4-[3-(3-bromo-4-fluoro-phenyl)-5-sulfido-1,2,4-triazol-4-yl]benzoate Formula: C15H7BrFN3O2S-2 MolecularWeight: 392.202383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])N2C(=NN=C2[S-])C3=CC(=C(C=C3)F)Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])N2C(=NN=C2[S-])C3=CC(=C(C=C3)F)Br

InChI

InChI=1S/C15H9BrFN3O2S/c16-11-7-9(3-6-12(11)17)13-18-19-15(23)20(13)10-4-1-8(2-5-10)14(21)22/h1-7H,(H,19,23)(H,21,22)/p-2