N-[(4-bromanylthiophen-2-yl)methyl]-2,2-bis(fluoranyl)-1,3-benzodioxol-5-amine

Systemtic Name: N-[(4-bromanylthiophen-2-yl)methyl]-2,2-bis(fluoranyl)-1,3-benzodioxol-5-amine Openeye Name: N-[(4-bromo-2-thienyl)methyl]-2,2-difluoro-1,3-benzodioxol-5-amine CAS Name: N-[(4-bromo-2-thiophenyl)methyl]-2,2-difluoro-1,3-benzodioxol-5-amine IUPAC Name: N-[(4-bromothiophen-2-yl)methyl]-2,2-difluoro-1,3-benzodioxol-5-amine Traditional Name: (4-bromo-2-thienyl)methyl-(2,2-difluoro-1,3-benzodioxol-5-yl)amine Formula: C12H8BrF2NO2S MolecularWeight: 348.163226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NCC3=CC(=CS3)Br)OC(O2)(F)F

Isomeric SMILES

C1=CC2=C(C=C1NCC3=CC(=CS3)Br)OC(O2)(F)F

InChI

InChI=1S/C12H8BrF2NO2S/c13-7-3-9(19-6-7)5-16-8-1-2-10-11(4-8)18-12(14,15)17-10/h1-4,6,16H,5H2