4-[[4-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,5-thiadiazol-3-yl]sulfanylmethyl]benzenecarbonitrile; ethanedioic acid

Systemtic Name: 4-[[4-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,5-thiadiazol-3-yl]sulfanylmethyl]benzenecarbonitrile; ethanedioic acid Openeye Name: oxalic acid; 4-[(4-quinuclidin-3-yl-1,2,5-thiadiazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[[4-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,5-thiadiazol-3-yl]thio]methyl]benzonitrile; oxalic acid IUPAC Name: 4-[[4-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,5-thiadiazol-3-yl]sulfanylmethyl]benzonitrile; oxalic acid Traditional Name: oxalic acid; 4-[[(4-quinuclidin-3-yl-1,2,5-thiadiazol-3-yl)thio]methyl]benzonitrile Formula: C19H20N4O4S2 MolecularWeight: 432.5165

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)C3=NSN=C3SCC4=CC=C(C=C4)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN2CCC1C(C2)C3=NSN=C3SCC4=CC=C(C=C4)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H18N4S2.C2H2O4/c18-9-12-1-3-13(4-2-12)11-22-17-16(19-23-20-17)15-10-21-7-5-14(15)6-8-21;3-1(4)2(5)6/h1-4,14-15H,5-8,10-11H2;(H,3,4)(H,5,6)