(E)-but-2-enedioic acid; 5-[(2,5-diethylthiophen-3-yl)methyl]-1H-imidazole

Systemtic Name: (E)-but-2-enedioic acid; 5-[(2,5-diethylthiophen-3-yl)methyl]-1H-imidazole Openeye Name: 5-[(2,5-diethyl-3-thienyl)methyl]-1H-imidazole; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[(2,5-diethyl-3-thiophenyl)methyl]-1H-imidazole IUPAC Name: (E)-but-2-enedioic acid; 5-[(2,5-diethylthiophen-3-yl)methyl]-1H-imidazole Traditional Name: 5-[(2,5-diethyl-3-thienyl)methyl]-1H-imidazole; fumaric acid Formula: C16H20N2O4S MolecularWeight: 336.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)CC)CC2=CN=CN2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC(=C(S1)CC)CC2=CN=CN2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H16N2S.C4H4O4/c1-3-11-6-9(12(4-2)15-11)5-10-7-13-8-14-10;5-3(6)1-2-4(7)8/h6-8H,3-5H2,1-2H3,(H,13,14);1-2H,(H,5,6)(H,7,8)/b;2-1+