N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C18H13F3N2O6S MolecularWeight: 442.36583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])OCO2

InChI

InChI=1S/C18H13F3N2O6S/c1-9(24)11-5-14-15(29-8-28-14)6-12(11)22-17(25)7-30-16-3-2-10(18(19,20)21)4-13(16)23(26)27/h2-6H,7-8H2,1H3,(H,22,25)