N-[2-chloranyl-5-(trifluoromethylsulfonyl)phenyl]-2-(2,4-dinitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethylsulfonyl)phenyl]-2-(2,4-dinitrophenyl)sulfanyl-ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]-2-(2,4-dinitrophenyl)sulfanyl-acetamide CAS Name: N-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]-2-[(2,4-dinitrophenyl)thio]acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethylsulfonyl)phenyl]-2-(2,4-dinitrophenyl)sulfanylacetamide Traditional Name: N-(2-chloro-5-triflyl-phenyl)-2-[(2,4-dinitrophenyl)thio]acetamide Formula: C15H9ClF3N3O7S2 MolecularWeight: 499.82607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C(F)(F)F)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C(F)(F)F)Cl

InChI

InChI=1S/C15H9ClF3N3O7S2/c16-10-3-2-9(31(28,29)15(17,18)19)6-11(10)20-14(23)7-30-13-4-1-8(21(24)25)5-12(13)22(26)27/h1-6H,7H2,(H,20,23)