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

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Openeye Name: 2-(p-tolylmethylsulfanyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole CAS Name: 2-[(4-methylphenyl)methylthio]-5-[(2S)-2-pyrrolidin-1-iumyl]-1,3,4-oxadiazole IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Traditional Name: 2-[(4-methylbenzyl)thio]-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,3,4-oxadiazole Formula: C14H18N3OS+ MolecularWeight: 276.37722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3OS/c1-10-4-6-11(7-5-10)9-19-14-17-16-13(18-14)12-3-2-8-15-12/h4-7,12,15H,2-3,8-9H2,1H3/p+1/t12-/m0/s1