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

Systemtic Name: ethanedioic acid; 5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole Openeye Name: oxalic acid; 5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole CAS Name: oxalic acid; 5-[2-[[3-(trifluoromethyl)phenyl]thio]ethyl]-1H-imidazole IUPAC Name: oxalic acid; 5-[2-[3-(trifluoromethyl)phenyl]sulfanylethyl]-1H-imidazole Traditional Name: oxalic acid; 5-[2-[[3-(trifluoromethyl)phenyl]thio]ethyl]-1H-imidazole Formula: C14H13F3N2O4S MolecularWeight: 362.32423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCCC2=CN=CN2)C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)SCCC2=CN=CN2)C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H11F3N2S.C2H2O4/c13-12(14,15)9-2-1-3-11(6-9)18-5-4-10-7-16-8-17-10;3-1(4)2(5)6/h1-3,6-8H,4-5H2,(H,16,17);(H,3,4)(H,5,6)