5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[2-(4-bromophenyl)sulfonylethylthio]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[2-(4-bromophenyl)sulfonylethylsulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-(2-brosylethylthio)-1,3,4-thiadiazol-2-yl]-(4-fluorophenyl)amine Formula: C16H13BrFN3O2S3 MolecularWeight: 474.390723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NN=C(S2)SCCS(=O)(=O)C3=CC=C(C=C3)Br)F

Isomeric SMILES

C1=CC(=CC=C1NC2=NN=C(S2)SCCS(=O)(=O)C3=CC=C(C=C3)Br)F

InChI

InChI=1S/C16H13BrFN3O2S3/c17-11-1-7-14(8-2-11)26(22,23)10-9-24-16-21-20-15(25-16)19-13-5-3-12(18)4-6-13/h1-8H,9-10H2,(H,19,20)