(E)-but-2-enedioic acid; 2-[3-(1H-imidazol-2-ylsulfanyl)propylsulfanyl]-4,5-diphenyl-1H-imidazole

Systemtic Name: (E)-but-2-enedioic acid; 2-[3-(1H-imidazol-2-ylsulfanyl)propylsulfanyl]-4,5-diphenyl-1H-imidazole Openeye Name: fumaric acid; 2-[3-(1H-imidazol-2-ylsulfanyl)propylsulfanyl]-4,5-diphenyl-1H-imidazole CAS Name: (E)-2-butenedioic acid; 2-[3-(1H-imidazol-2-ylthio)propylthio]-4,5-diphenyl-1H-imidazole IUPAC Name: (E)-but-2-enedioic acid; 2-[3-(1H-imidazol-2-ylsulfanyl)propylsulfanyl]-4,5-diphenyl-1H-imidazole Traditional Name: fumaric acid; 2-[3-(1H-imidazol-2-ylthio)propylthio]-4,5-diphenyl-1H-imidazole Formula: C29H28N4O8S2 MolecularWeight: 624.68462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N=C(N2)SCCCSC3=NC=CN3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N=C(N2)SCCCSC3=NC=CN3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H20N4S2.2C4H4O4/c1-3-8-16(9-4-1)18-19(17-10-5-2-6-11-17)25-21(24-18)27-15-7-14-26-20-22-12-13-23-20;2*5-3(6)1-2-4(7)8/h1-6,8-13H,7,14-15H2,(H,22,23)(H,24,25);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+