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

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetamide Formula: C17H12F3N3O3S MolecularWeight: 395.35569

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C17H12F3N3O3S/c18-17(19,20)12-3-6-15(14(9-12)23(25)26)27-10-16(24)22-13-4-1-11(2-5-13)7-8-21/h1-6,9H,7,10H2,(H,22,24)