(E)-but-2-enedioic acid; 2-[3-(1-methylimidazol-2-yl)sulfanylpropylsulfanyl]-4,5-diphenyl-1H-imidazole

Systemtic Name: (E)-but-2-enedioic acid; 2-[3-(1-methylimidazol-2-yl)sulfanylpropylsulfanyl]-4,5-diphenyl-1H-imidazole Openeye Name: fumaric acid; 2-[3-(1-methylimidazol-2-yl)sulfanylpropylsulfanyl]-4,5-diphenyl-1H-imidazole CAS Name: (E)-2-butenedioic acid; 2-[3-[(1-methyl-2-imidazolyl)thio]propylthio]-4,5-diphenyl-1H-imidazole IUPAC Name: (E)-but-2-enedioic acid; 2-[3-(1-methylimidazol-2-yl)sulfanylpropylsulfanyl]-4,5-diphenyl-1H-imidazole Traditional Name: fumaric acid; 2-[3-[(1-methylimidazol-2-yl)thio]propylthio]-4,5-diphenyl-1H-imidazole Formula: C30H30N4O8S2 MolecularWeight: 638.7112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C(=NC=C1)SCCCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H22N4S2.2C4H4O4/c1-26-14-13-23-22(26)28-16-8-15-27-21-24-19(17-9-4-2-5-10-17)20(25-21)18-11-6-3-7-12-18;2*5-3(6)1-2-4(7)8/h2-7,9-14H,8,15-16H2,1H3,(H,24,25);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+