2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanamide

Systemtic Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanamide Openeye Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide CAS Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C9H7F3N2O3S MolecularWeight: 280.22369

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SCC(=O)N

Isomeric SMILES

C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SCC(=O)N

InChI

InChI=1S/C9H7F3N2O3S/c10-9(11,12)5-1-2-7(18-4-8(13)15)6(3-5)14(16)17/h1-3H,4H2,(H2,13,15)