(E)-but-2-enedioic acid; 3-(5-imidazol-1-ylthiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: (E)-but-2-enedioic acid; 3-(5-imidazol-1-ylthiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: fumaric acid; 3-(5-imidazol-1-yl-2-thienyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: (E)-2-butenedioic acid; 3-[5-(1-imidazolyl)-2-thiophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: (E)-but-2-enedioic acid; 3-(5-imidazol-1-ylthiophen-2-yl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: fumaric acid; 3-(5-imidazol-1-yl-2-thienyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C16H16N4O5S MolecularWeight: 376.38704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC=C(S2)N3C=CN=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC=C(S2)N3C=CN=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H12N4OS.C4H4O4/c1-8-6-10(17)14-15-12(8)9-2-3-11(18-9)16-5-4-13-7-16;5-3(6)1-2-4(7)8/h2-5,7-8H,6H2,1H3,(H,14,17);1-2H,(H,5,6)(H,7,8)/b;2-1+