3-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]amino]azepan-2-one

Systemtic Name: 3-[[2-[bis(fluoranyl)methylsulfanyl]phenyl]amino]azepan-2-one Openeye Name: 3-[2-(difluoromethylsulfanyl)anilino]azepan-2-one CAS Name: 3-[2-(difluoromethylthio)anilino]-2-azepanone IUPAC Name: 3-[2-(difluoromethylsulfanyl)anilino]azepan-2-one Traditional Name: 3-[2-(difluoromethylthio)anilino]azepan-2-one Formula: C13H16F2N2OS MolecularWeight: 286.340746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2=CC=CC=C2SC(F)F

Isomeric SMILES

C1CCNC(=O)C(C1)NC2=CC=CC=C2SC(F)F

InChI

InChI=1S/C13H16F2N2OS/c14-13(15)19-11-7-2-1-5-9(11)17-10-6-3-4-8-16-12(10)18/h1-2,5,7,10,13,17H,3-4,6,8H2,(H,16,18)