3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole

Systemtic Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole Openeye Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole CAS Name: 3-[2-(4-bromophenyl)sulfonylethylthio]-5-(2-fluorophenyl)-1H-1,2,4-triazole IUPAC Name: 3-[2-(4-bromophenyl)sulfonylethylsulfanyl]-5-(2-fluorophenyl)-1H-1,2,4-triazole Traditional Name: 3-(2-brosylethylthio)-5-(2-fluorophenyl)-1H-1,2,4-triazole Formula: C16H13BrFN3O2S2 MolecularWeight: 442.325723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC(=NN2)SCCS(=O)(=O)C3=CC=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC(=NN2)SCCS(=O)(=O)C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C16H13BrFN3O2S2/c17-11-5-7-12(8-6-11)25(22,23)10-9-24-16-19-15(20-21-16)13-3-1-2-4-14(13)18/h1-8H,9-10H2,(H,19,20,21)