N-[[4-[bis(fluoranyl)methoxy]phenyl]methyl]thian-4-amine

Systemtic Name: N-[[4-[bis(fluoranyl)methoxy]phenyl]methyl]thian-4-amine Openeye Name: N-[[4-(difluoromethoxy)phenyl]methyl]tetrahydrothiopyran-4-amine CAS Name: N-[[4-(difluoromethoxy)phenyl]methyl]-4-thianamine IUPAC Name: N-[[4-(difluoromethoxy)phenyl]methyl]thian-4-amine Traditional Name: [4-(difluoromethoxy)benzyl]-tetrahydrothiopyran-4-yl-amine Formula: C13H17F2NOS MolecularWeight: 273.341986

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1NCC2=CC=C(C=C2)OC(F)F

Isomeric SMILES

C1CSCCC1NCC2=CC=C(C=C2)OC(F)F

InChI

InChI=1S/C13H17F2NOS/c14-13(15)17-12-3-1-10(2-4-12)9-16-11-5-7-18-8-6-11/h1-4,11,13,16H,5-9H2