3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]-1,2,5-thiadiazole; ethanedioic acid

Systemtic Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[[4-(trifluoromethyloxy)phenyl]methylsulfanyl]-1,2,5-thiadiazole; ethanedioic acid Openeye Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[[4-(trifluoromethoxy)phenyl]methylthio]-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[[4-(trifluoromethoxy)benzyl]thio]-1,2,5-thiadiazole; oxalic acid Formula: C19H20F3N3O5S2 MolecularWeight: 491.50441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(C1)CC2C3=NSN=C3SCC4=CC=C(C=C4)OC(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2CN(C1)CC2C3=NSN=C3SCC4=CC=C(C=C4)OC(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18F3N3OS2.C2H2O4/c18-17(19,20)24-13-5-3-11(4-6-13)10-25-16-15(21-26-22-16)14-9-23-7-1-2-12(14)8-23;3-1(4)2(5)6/h3-6,12,14H,1-2,7-10H2;(H,3,4)(H,5,6)