ethanedioic acid; 2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: ethanedioic acid; 2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: oxalic acid; 2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: oxalic acid; 2-[[[5-(1-pyrrolidinylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: oxalic acid; 2-[[5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: oxalic acid; 2-[[[5-(pyrrolidinomethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(O2)SCC3=CC=CC=C3C#N.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(C1)CC2=NN=C(O2)SCC3=CC=CC=C3C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H16N4OS.C2H2O4/c16-9-12-5-1-2-6-13(12)11-21-15-18-17-14(20-15)10-19-7-3-4-8-19;3-1(4)2(5)6/h1-2,5-6H,3-4,7-8,10-11H2;(H,3,4)(H,5,6)