N-(2-methoxy-5-nitro-phenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C16H12F3N3O6S MolecularWeight: 431.34319

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12F3N3O6S/c1-28-13-4-3-10(21(24)25)7-11(13)20-15(23)8-29-14-5-2-9(16(17,18)19)6-12(14)22(26)27/h2-7H,8H2,1H3,(H,20,23)