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

Systemtic Name: 2-(4-methylphenyl)-5-[(1S)-1-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethyl]-1,3,4-oxadiazole Openeye Name: 2-[(1S)-1-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]-5-(p-tolyl)-1,3,4-oxadiazole CAS Name: 2-(4-methylphenyl)-5-[(1S)-1-[(1-oxido-2-pyridin-1-iumyl)thio]ethyl]-1,3,4-oxadiazole IUPAC Name: 2-(4-methylphenyl)-5-[(1S)-1-(1-oxidopyridin-1-ium-2-yl)sulfanylethyl]-1,3,4-oxadiazole Traditional Name: 2-[(1S)-1-[(1-oxidopyridin-1-ium-2-yl)thio]ethyl]-5-(p-tolyl)-1,3,4-oxadiazole Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)[C@H](C)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H15N3O2S/c1-11-6-8-13(9-7-11)16-18-17-15(21-16)12(2)22-14-5-3-4-10-19(14)20/h3-10,12H,1-2H3/t12-/m0/s1