N-(2-cyanoethyl)-N-methyl-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-methyl-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-methyl-2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-2-[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-methyl-2-[[5-nitro-1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]thio]acetamide Formula: C20H16F3N5O3S MolecularWeight: 463.43295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)CSC1=NC2=C(N1C3=CC=CC(=C3)C(F)(F)F)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)C(=O)CSC1=NC2=C(N1C3=CC=CC(=C3)C(F)(F)F)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H16F3N5O3S/c1-26(9-3-8-24)18(29)12-32-19-25-16-11-15(28(30)31)6-7-17(16)27(19)14-5-2-4-13(10-14)20(21,22)23/h2,4-7,10-11H,3,9,12H2,1H3