1-morpholin-4-yl-2-[2-nitro-4-[(S)-trifluoromethylsulfinyl]phenyl]sulfanyl-ethanone

Systemtic Name: 1-morpholin-4-yl-2-[2-nitro-4-[(S)-trifluoromethylsulfinyl]phenyl]sulfanyl-ethanone Openeye Name: 1-morpholino-2-[2-nitro-4-[(S)-trifluoromethylsulfinyl]phenyl]sulfanyl-ethanone CAS Name: 1-(4-morpholinyl)-2-[[2-nitro-4-[(S)-trifluoromethylsulfinyl]phenyl]thio]ethanone IUPAC Name: 1-morpholin-4-yl-2-[2-nitro-4-[(S)-trifluoromethylsulfinyl]phenyl]sulfanylethanone Traditional Name: 1-morpholino-2-[[2-nitro-4-[(S)-trifluoromethylsulfinyl]phenyl]thio]ethanone Formula: C13H13F3N2O5S2 MolecularWeight: 398.37793

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=C(C=C(C=C2)S(=O)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)CSC2=C(C=C(C=C2)[S@](=O)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C13H13F3N2O5S2/c14-13(15,16)25(22)9-1-2-11(10(7-9)18(20)21)24-8-12(19)17-3-5-23-6-4-17/h1-2,7H,3-6,8H2/t25-/m0/s1