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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3OS/c1-10-4-2-5-11(8-10)9-19-14-17-16-13(18-14)12-6-3-7-15-12/h2,4-5,8,12,15H,3,6-7,9H2,1H3/p+1/t12-/m0/s1