2-propan-2-ylsulfanyl-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole chloride

Systemtic Name: 2-propan-2-ylsulfanyl-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole chloride Openeye Name: 2-isopropylsulfanyl-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole chloride CAS Name: 2-(propan-2-ylthio)-5-[(2S)-2-pyrrolidin-1-iumyl]-1,3,4-oxadiazole chloride IUPAC Name: 2-propan-2-ylsulfanyl-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole chloride Traditional Name: 2-(isopropylthio)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole chloride Formula: C9H16ClN3OS MolecularWeight: 249.76084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NN=C(O1)C2CCC[NH2+]2.[Cl-]

Isomeric SMILES

CC(C)SC1=NN=C(O1)[C@@H]2CCC[NH2+]2.[Cl-]

InChI

InChI=1S/C9H15N3OS.ClH/c1-6(2)14-9-12-11-8(13-9)7-4-3-5-10-7;/h6-7,10H,3-5H2,1-2H3;1H/t7-;/m0./s1