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

Systemtic Name: 2-[[5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(1-pyrrolidin-1-iumylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzonitrile Formula: C15H17N4OS+ MolecularWeight: 301.38668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NN=C(O2)SCC3=CC=CC=C3C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=NN=C(O2)SCC3=CC=CC=C3C#N

InChI

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