5-[(1R,2S)-2-methyl-1-phenyl-butyl]-1,3,4-oxadiazole-2-thiolate

Systemtic Name: 5-[(1R,2S)-2-methyl-1-phenyl-butyl]-1,3,4-oxadiazole-2-thiolate Openeye Name: 5-[(1R,2S)-2-methyl-1-phenyl-butyl]-1,3,4-oxadiazole-2-thiolate CAS Name: 5-[(1R,2S)-2-methyl-1-phenylbutyl]-1,3,4-oxadiazole-2-thiolate IUPAC Name: 5-[(1R,2S)-2-methyl-1-phenylbutyl]-1,3,4-oxadiazole-2-thiolate Traditional Name: 5-[(1R,2S)-2-methyl-1-phenyl-butyl]-1,3,4-oxadiazole-2-thiolate Formula: C13H15N2OS- MolecularWeight: 247.336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C2=NN=C(O2)[S-]

Isomeric SMILES

CC[C@H](C)[C@H](C1=CC=CC=C1)C2=NN=C(O2)[S-]

InChI

InChI=1S/C13H16N2OS/c1-3-9(2)11(10-7-5-4-6-8-10)12-14-15-13(17)16-12/h4-9,11H,3H2,1-2H3,(H,15,17)/p-1/t9-,11+/m0/s1