2-[[4-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone

Systemtic Name: 2-[[4-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone Openeye Name: 1-(4-bromophenyl)-2-[[4-[4-(difluoromethylsulfanyl)phenyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[[4-[4-(difluoromethylthio)phenyl]-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[4-[4-(difluoromethylsulfanyl)phenyl]-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[[4-[4-(difluoromethylthio)phenyl]-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H15BrF2N4OS2 MolecularWeight: 533.411506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)SC(F)F)SCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)SC(F)F)SCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H15BrF2N4OS2/c23-16-5-3-14(4-6-16)19(30)13-31-22-28-27-20(15-2-1-11-26-12-15)29(22)17-7-9-18(10-8-17)32-21(24)25/h1-12,21H,13H2