2-azanyl-1-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-4-methylsulfanyl-butan-1-one

Systemtic Name: 2-azanyl-1-[2,2-bis(fluoranyl)-1,3-benzodioxol-5-yl]-4-methylsulfanyl-butan-1-one Openeye Name: 2-amino-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylsulfanyl-butan-1-one CAS Name: 2-amino-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(methylthio)-1-butanone IUPAC Name: 2-amino-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-methylsulfanylbutan-1-one Traditional Name: 2-amino-1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(methylthio)butan-1-one Formula: C12H13F2NO3S MolecularWeight: 289.298326

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=CC2=C(C=C1)OC(O2)(F)F)N

Isomeric SMILES

CSCCC(C(=O)C1=CC2=C(C=C1)OC(O2)(F)F)N

InChI

InChI=1S/C12H13F2NO3S/c1-19-5-4-8(15)11(16)7-2-3-9-10(6-7)18-12(13,14)17-9/h2-3,6,8H,4-5,15H2,1H3