3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[6,6,6-tris(fluoranyl)hexylsulfanyl]-1,2,5-thiadiazole; ethanedioic acid

Systemtic Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[6,6,6-tris(fluoranyl)hexylsulfanyl]-1,2,5-thiadiazole; ethanedioic acid Openeye Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-(6,6,6-trifluorohexylsulfanyl)-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-(6,6,6-trifluorohexylthio)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-(6,6,6-trifluorohexylsulfanyl)-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-(6,6,6-trifluorohexylthio)-1,2,5-thiadiazole; oxalic acid Formula: C17H24F3N3O4S2 MolecularWeight: 455.51537

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(C1)CC2C3=NSN=C3SCCCCCC(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2CN(C1)CC2C3=NSN=C3SCCCCCC(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H22F3N3S2.C2H2O4/c16-15(17,18)6-2-1-3-8-22-14-13(19-23-20-14)12-10-21-7-4-5-11(12)9-21;3-1(4)2(5)6/h11-12H,1-10H2;(H,3,4)(H,5,6)