2-pyridin-4-yl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazole

Systemtic Name: 2-pyridin-4-yl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazole Openeye Name: 2-(4-pyridyl)-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazole CAS Name: 2-pyridin-4-yl-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,3,4-oxadiazole IUPAC Name: 2-pyridin-4-yl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-oxadiazole Traditional Name: 2-(4-pyridyl)-5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,3,4-oxadiazole Formula: C13H17N4OS+ MolecularWeight: 277.36528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NN=C(O2)C3=CC=NC=C3

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NN=C(O2)C3=CC=NC=C3

InChI

InChI=1S/C13H16N4OS/c1-2-8-17(7-1)9-10-19-13-16-15-12(18-13)11-3-5-14-6-4-11/h3-6H,1-2,7-10H2/p+1