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

Systemtic Name: 1-morpholin-4-yl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanone Openeye Name: 1-morpholino-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanone CAS Name: 1-(4-morpholinyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]ethanone IUPAC Name: 1-morpholin-4-yl-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanone Traditional Name: 1-morpholino-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]ethanone Formula: C13H13F3N2O4S MolecularWeight: 350.31353

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3N2O4S/c14-13(15,16)9-1-2-11(10(7-9)18(20)21)23-8-12(19)17-3-5-22-6-4-17/h1-2,7H,3-6,8H2