3-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-methylbutylsulfanyl)-1,2,5-thiadiazole; (E)-but-2-enedioic acid

Systemtic Name: 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-methylbutylsulfanyl)-1,2,5-thiadiazole; (E)-but-2-enedioic acid Openeye Name: fumaric acid; 3-isopentylsulfanyl-4-quinuclidin-3-yl-1,2,5-thiadiazole CAS Name: 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-methylbutylthio)-1,2,5-thiadiazole; (E)-2-butenedioic acid IUPAC Name: 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-(3-methylbutylsulfanyl)-1,2,5-thiadiazole; (E)-but-2-enedioic acid Traditional Name: fumaric acid; 3-(isoamylthio)-4-quinuclidin-3-yl-1,2,5-thiadiazole Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NSN=C1C2CN3CCC2CC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)CCSC1=NSN=C1C2CN3CCC2CC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H23N3S2.C4H4O4/c1-10(2)5-8-18-14-13(15-19-16-14)12-9-17-6-3-11(12)4-7-17;5-3(6)1-2-4(7)8/h10-12H,3-9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+