3-(1-azabicyclo[2.2.1]heptan-3-yl)-4-hexylsulfanyl-1,2,5-thiadiazole; (E)-but-2-enedioic acid

Systemtic Name: 3-(1-azabicyclo[2.2.1]heptan-3-yl)-4-hexylsulfanyl-1,2,5-thiadiazole; (E)-but-2-enedioic acid Openeye Name: 3-(1-azabicyclo[2.2.1]heptan-3-yl)-4-hexylsulfanyl-1,2,5-thiadiazole; fumaric acid CAS Name: 3-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(hexylthio)-1,2,5-thiadiazole; (E)-2-butenedioic acid IUPAC Name: 3-(1-azabicyclo[2.2.1]heptan-3-yl)-4-hexylsulfanyl-1,2,5-thiadiazole; (E)-but-2-enedioic acid Traditional Name: 3-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(hexylthio)-1,2,5-thiadiazole; fumaric acid Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NSN=C1C2CN3CCC2C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCSC1=NSN=C1C2CN3CCC2C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H23N3S2.C4H4O4/c1-2-3-4-5-8-18-14-13(15-19-16-14)12-10-17-7-6-11(12)9-17;5-3(6)1-2-4(7)8/h11-12H,2-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+