2-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-5-[(2S)-2-pyrrolidin-1-iumyl]-1,3,4-oxadiazole IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Formula: C15H20N3OS+ MolecularWeight: 290.4038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)C3CCC[NH2+]3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)[C@@H]3CCC[NH2+]3

InChI

InChI=1S/C15H19N3OS/c1-10-5-6-11(2)12(8-10)9-20-15-18-17-14(19-15)13-4-3-7-16-13/h5-6,8,13,16H,3-4,7,9H2,1-2H3/p+1/t13-/m0/s1