5-[2,4-bis(trifluoromethyl)phenoxy]-N-ethyl-N-(2-methylsulfanylethyl)-2-nitro-benzamide

Systemtic Name: 5-[2,4-bis(trifluoromethyl)phenoxy]-N-ethyl-N-(2-methylsulfanylethyl)-2-nitro-benzamide Openeye Name: 5-[2,4-bis(trifluoromethyl)phenoxy]-N-ethyl-N-(2-methylsulfanylethyl)-2-nitro-benzamide CAS Name: 5-[2,4-bis(trifluoromethyl)phenoxy]-N-ethyl-N-[2-(methylthio)ethyl]-2-nitrobenzamide IUPAC Name: 5-[2,4-bis(trifluoromethyl)phenoxy]-N-ethyl-N-(2-methylsulfanylethyl)-2-nitrobenzamide Traditional Name: 5-[2,4-bis(trifluoromethyl)phenoxy]-N-ethyl-N-[2-(methylthio)ethyl]-2-nitro-benzamide Formula: C20H18F6N2O4S MolecularWeight: 496.423339

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCSC)C(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCN(CCSC)C(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H18F6N2O4S/c1-3-27(8-9-33-2)18(29)14-11-13(5-6-16(14)28(30)31)32-17-7-4-12(19(21,22)23)10-15(17)20(24,25)26/h4-7,10-11H,3,8-9H2,1-2H3