3-(1-azabicyclo[2.2.2]octan-3-yl)-4-propylsulfanyl-1,2,5-thiadiazole; ethanedioic acid

Systemtic Name: 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-propylsulfanyl-1,2,5-thiadiazole; ethanedioic acid Openeye Name: oxalic acid; 3-propylsulfanyl-4-quinuclidin-3-yl-1,2,5-thiadiazole CAS Name: 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-(propylthio)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-propylsulfanyl-1,2,5-thiadiazole; oxalic acid Traditional Name: oxalic acid; 3-(propylthio)-4-quinuclidin-3-yl-1,2,5-thiadiazole Formula: C14H21N3O4S2 MolecularWeight: 359.46424

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NSN=C1C2CN3CCC2CC3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCSC1=NSN=C1C2CN3CCC2CC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H19N3S2.C2H2O4/c1-2-7-16-12-11(13-17-14-12)10-8-15-5-3-9(10)4-6-15;3-1(4)2(5)6/h9-10H,2-8H2,1H3;(H,3,4)(H,5,6)