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

Systemtic Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-butylsulfanyl-1,2,5-thiadiazole; ethanedioic acid Openeye Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-butylsulfanyl-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-(butylthio)-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-butylsulfanyl-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-(butylthio)-1,2,5-thiadiazole; oxalic acid Formula: C15H23N3O4S2 MolecularWeight: 373.49082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NSN=C1C2CN3CCCC2C3.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCSC1=NSN=C1C2CN3CCCC2C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H21N3S2.C2H2O4/c1-2-3-7-17-13-12(14-18-15-13)11-9-16-6-4-5-10(11)8-16;3-1(4)2(5)6/h10-11H,2-9H2,1H3;(H,3,4)(H,5,6)