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

Systemtic Name: 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-fluorophenyl)methylsulfanyl]-1,2,5-thiadiazole; ethanedioic acid Openeye Name: 3-[(4-fluorophenyl)methylsulfanyl]-4-quinuclidin-3-yl-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-fluorophenyl)methylthio]-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(4-fluorophenyl)methylsulfanyl]-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-[(4-fluorobenzyl)thio]-4-quinuclidin-3-yl-1,2,5-thiadiazole; oxalic acid Formula: C18H20FN3O4S2 MolecularWeight: 425.497503

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)C3=NSN=C3SCC4=CC=C(C=C4)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN2CCC1C(C2)C3=NSN=C3SCC4=CC=C(C=C4)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18FN3S2.C2H2O4/c17-13-3-1-11(2-4-13)10-21-16-15(18-22-19-16)14-9-20-7-5-12(14)6-8-20;3-1(4)2(5)6/h1-4,12,14H,5-10H2;(H,3,4)(H,5,6)