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

Systemtic Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[(4-methylsulfonylphenyl)methylsulfanyl]-1,2,5-thiadiazole; ethanedioic acid Openeye Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[(4-methylsulfonylphenyl)methylsulfanyl]-1,2,5-thiadiazole; oxalic acid CAS Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[(4-methylsulfonylphenyl)methylthio]-1,2,5-thiadiazole; oxalic acid IUPAC Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[(4-methylsulfonylphenyl)methylsulfanyl]-1,2,5-thiadiazole; oxalic acid Traditional Name: 3-(1-azabicyclo[3.2.1]octan-6-yl)-4-[(4-mesylbenzyl)thio]-1,2,5-thiadiazole; oxalic acid Formula: C19H23N3O6S3 MolecularWeight: 485.59742

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CSC2=NSN=C2C3CN4CCCC3C4.C(=O)(C(=O)O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CSC2=NSN=C2C3CN4CCCC3C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H21N3O2S3.C2H2O4/c1-25(21,22)14-6-4-12(5-7-14)11-23-17-16(18-24-19-17)15-10-20-8-2-3-13(15)9-20;3-1(4)2(5)6/h4-7,13,15H,2-3,8-11H2,1H3;(H,3,4)(H,5,6)