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

Systemtic Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,5-thiadiazole; ethanedioic acid Openeye Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[[2-(trifluoromethyl)phenyl]methylthio]-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[[2-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[[2-(trifluoromethyl)benzyl]thio]-1,2,5-thiadiazole; oxalic acid Formula: C19H20F3N3O4S2 MolecularWeight: 475.50501

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(C1)CC2C3=NSN=C3SCC4=CC=CC=C4C(F)(F)F.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC2CN(C1)CC2C3=NSN=C3SCC4=CC=CC=C4C(F)(F)F.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18F3N3S2.C2H2O4/c18-17(19,20)14-6-2-1-4-12(14)10-24-16-15(21-25-22-16)13-9-23-7-3-5-11(13)8-23;3-1(4)2(5)6/h1-2,4,6,11,13H,3,5,7-10H2;(H,3,4)(H,5,6)