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

Systemtic Name: 3-(1-azabicyclo[2.2.1]heptan-3-yl)-4-butylsulfanyl-1,2,5-thiadiazole; (E)-but-2-enedioic acid Openeye Name: 3-(1-azabicyclo[2.2.1]heptan-3-yl)-4-butylsulfanyl-1,2,5-thiadiazole; fumaric acid CAS Name: 3-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(butylthio)-1,2,5-thiadiazole; (E)-2-butenedioic acid IUPAC Name: 3-(1-azabicyclo[2.2.1]heptan-3-yl)-4-butylsulfanyl-1,2,5-thiadiazole; (E)-but-2-enedioic acid Traditional Name: 3-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(butylthio)-1,2,5-thiadiazole; fumaric acid Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NSN=C1C2CN3CCC2C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCSC1=NSN=C1C2CN3CCC2C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H19N3S2.C4H4O4/c1-2-3-6-16-12-11(13-17-14-12)10-8-15-5-4-9(10)7-15;5-3(6)1-2-4(7)8/h9-10H,2-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+