2-(4-fluorophenyl)sulfanylethanoyl-[4-nitro-3-(trifluoromethyl)phenyl]carbamic acid

Systemtic Name: 2-(4-fluorophenyl)sulfanylethanoyl-[4-nitro-3-(trifluoromethyl)phenyl]carbamic acid Openeye Name: [2-(4-fluorophenyl)sulfanylacetyl]-[4-nitro-3-(trifluoromethyl)phenyl]carbamic acid CAS Name: [2-[(4-fluorophenyl)thio]-1-oxoethyl]-[4-nitro-3-(trifluoromethyl)phenyl]carbamic acid IUPAC Name: [2-(4-fluorophenyl)sulfanylacetyl]-[4-nitro-3-(trifluoromethyl)phenyl]carbamic acid Traditional Name: [2-[(4-fluorophenyl)thio]acetyl]-[4-nitro-3-(trifluoromethyl)phenyl]carbamic acid Formula: C16H10F4N2O5S MolecularWeight: 418.319613

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1F)SCC(=O)N(C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1F)SCC(=O)N(C2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)C(=O)O

InChI

InChI=1S/C16H10F4N2O5S/c17-9-1-4-11(5-2-9)28-8-14(23)21(15(24)25)10-3-6-13(22(26)27)12(7-10)16(18,19)20/h1-7H,8H2,(H,24,25)