(E)-but-2-enedioate; 5-[(2,4-dimethylthiophen-3-yl)methyl]-1H-imidazole

Systemtic Name: (E)-but-2-enedioate; 5-[(2,4-dimethylthiophen-3-yl)methyl]-1H-imidazole Openeye Name: (E)-but-2-enedioate; 5-[(2,4-dimethyl-3-thienyl)methyl]-1H-imidazole CAS Name: (E)-2-butenedioate; 5-[(2,4-dimethyl-3-thiophenyl)methyl]-1H-imidazole IUPAC Name: (E)-but-2-enedioate; 5-[(2,4-dimethylthiophen-3-yl)methyl]-1H-imidazole Traditional Name: 5-[(2,4-dimethyl-3-thienyl)methyl]-1H-imidazole fumarate Formula: C14H14N2O4S-2 MolecularWeight: 306.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1CC2=CN=CN2)C.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=CSC(=C1CC2=CN=CN2)C.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C10H12N2S.C4H4O4/c1-7-5-13-8(2)10(7)3-9-4-11-6-12-9;5-3(6)1-2-4(7)8/h4-6H,3H2,1-2H3,(H,11,12);1-2H,(H,5,6)(H,7,8)/p-2/b;2-1+