N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]cycloheptanamine

Systemtic Name: N-[2-[bis(fluoranyl)methylsulfanyl]phenyl]cycloheptanamine Openeye Name: N-[2-(difluoromethylsulfanyl)phenyl]cycloheptanamine CAS Name: N-[2-(difluoromethylthio)phenyl]cycloheptanamine IUPAC Name: N-[2-(difluoromethylsulfanyl)phenyl]cycloheptanamine Traditional Name: cycloheptyl-[2-(difluoromethylthio)phenyl]amine Formula: C14H19F2NS MolecularWeight: 271.369166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=CC=CC=C2SC(F)F

Isomeric SMILES

C1CCCC(CC1)NC2=CC=CC=C2SC(F)F

InChI

InChI=1S/C14H19F2NS/c15-14(16)18-13-10-6-5-9-12(13)17-11-7-3-1-2-4-8-11/h5-6,9-11,14,17H,1-4,7-8H2