ethanedioic acid; 5-[3-(4-methylsulfanylphenoxy)propyl]-1H-imidazole

Systemtic Name: ethanedioic acid; 5-[3-(4-methylsulfanylphenoxy)propyl]-1H-imidazole Openeye Name: 5-[3-(4-methylsulfanylphenoxy)propyl]-1H-imidazole; oxalic acid CAS Name: 5-[3-[4-(methylthio)phenoxy]propyl]-1H-imidazole; oxalic acid IUPAC Name: 5-[3-(4-methylsulfanylphenoxy)propyl]-1H-imidazole; oxalic acid Traditional Name: 5-[3-[4-(methylthio)phenoxy]propyl]-1H-imidazole; oxalic acid Formula: C15H18N2O5S MolecularWeight: 338.37882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)OCCCC2=CN=CN2.C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=CC=C(C=C1)OCCCC2=CN=CN2.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H16N2OS.C2H2O4/c1-17-13-6-4-12(5-7-13)16-8-2-3-11-9-14-10-15-11;3-1(4)2(5)6/h4-7,9-10H,2-3,8H2,1H3,(H,14,15);(H,3,4)(H,5,6)