5-(3-bromanyl-4-fluoranyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(3-bromanyl-4-fluoranyl-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate Openeye Name: 5-(3-bromo-4-fluoro-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate CAS Name: 5-(3-bromo-4-fluorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-(3-bromo-4-fluorophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate Traditional Name: 5-(3-bromo-4-fluoro-phenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazole-3-thiolate Formula: C16H10BrFN3O2S- MolecularWeight: 407.236903

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3[S-])C4=CC(=C(C=C4)F)Br

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=NN=C3[S-])C4=CC(=C(C=C4)F)Br

InChI

InChI=1S/C16H11BrFN3O2S/c17-11-7-9(1-3-12(11)18)15-19-20-16(24)21(15)10-2-4-13-14(8-10)23-6-5-22-13/h1-4,7-8H,5-6H2,(H,20,24)/p-1