sodium (5E)-6-[2,4-bis(fluoranyl)phenyl]sulfanyl-5-methylsulfonylimino-2,3-dihydroinden-1-olate

Systemtic Name: sodium (5E)-6-[2,4-bis(fluoranyl)phenyl]sulfanyl-5-methylsulfonylimino-2,3-dihydroinden-1-olate Openeye Name: sodium (5E)-6-(2,4-difluorophenyl)sulfanyl-5-methylsulfonylimino-2,3-dihydroinden-1-olate CAS Name: sodium (5E)-6-[(2,4-difluorophenyl)thio]-5-methylsulfonylimino-2,3-dihydroinden-1-olate IUPAC Name: sodium (5E)-6-(2,4-difluorophenyl)sulfanyl-5-methylsulfonylimino-2,3-dihydroinden-1-olate Traditional Name: sodium (5E)-6-[(2,4-difluorophenyl)thio]-5-mesylimino-2,3-dihydroinden-1-olate Formula: C16H12F2NNaO3S2 MolecularWeight: 391.387956

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N=C1C=C2CCC(=C2C=C1SC3=C(C=C(C=C3)F)F)[O-].[Na+]

Isomeric SMILES

CS(=O)(=O)/N=C/1\C=C2CCC(=C2C=C1SC3=C(C=C(C=C3)F)F)[O-].[Na+]

InChI

InChI=1S/C16H13F2NO3S2.Na/c1-24(21,22)19-13-6-9-2-4-14(20)11(9)8-16(13)23-15-5-3-10(17)7-12(15)18;/h3,5-8,20H,2,4H2,1H3;/q;+1/p-1/b19-13+;