ethanedioic acid; 5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole

Systemtic Name: ethanedioic acid; 5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole Openeye Name: oxalic acid; 5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole CAS Name: oxalic acid; 5-[2-[[3-(trifluoromethyl)phenyl]thio]propyl]-1H-imidazole IUPAC Name: oxalic acid; 5-[2-[3-(trifluoromethyl)phenyl]sulfanylpropyl]-1H-imidazole Traditional Name: oxalic acid; 5-[2-[[3-(trifluoromethyl)phenyl]thio]propyl]-1H-imidazole Formula: C15H15F3N2O4S MolecularWeight: 376.35081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CN=CN1)SC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CC1=CN=CN1)SC2=CC=CC(=C2)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H13F3N2S.C2H2O4/c1-9(5-11-7-17-8-18-11)19-12-4-2-3-10(6-12)13(14,15)16;3-1(4)2(5)6/h2-4,6-9H,5H2,1H3,(H,17,18);(H,3,4)(H,5,6)