4-(1,3-benzodioxol-5-yl)-5-(3-bromanyl-4-fluoranyl-phenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-5-(3-bromanyl-4-fluoranyl-phenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-(1,3-benzodioxol-5-yl)-5-(3-bromo-4-fluoro-phenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(1,3-benzodioxol-5-yl)-5-(3-bromo-4-fluorophenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-(1,3-benzodioxol-5-yl)-5-(3-bromo-4-fluorophenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-(1,3-benzodioxol-5-yl)-5-(3-bromo-4-fluoro-phenyl)-1,2,4-triazole-3-thiolate Formula: C15H8BrFN3O2S- MolecularWeight: 393.210323

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C(=NN=C3[S-])C4=CC(=C(C=C4)F)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C(=NN=C3[S-])C4=CC(=C(C=C4)F)Br

InChI

InChI=1S/C15H9BrFN3O2S/c16-10-5-8(1-3-11(10)17)14-18-19-15(23)20(14)9-2-4-12-13(6-9)22-7-21-12/h1-6H,7H2,(H,19,23)/p-1