[(1S)-3-methylsulfanyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propyl]azanium

Systemtic Name: [(1S)-3-methylsulfanyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propyl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[3-(2-pyridylmethyl)-1,2,4-oxadiazol-5-yl]propyl]ammonium CAS Name: [(1S)-3-(methylthio)-1-[3-(2-pyridinylmethyl)-1,2,4-oxadiazol-5-yl]propyl]ammonium IUPAC Name: [(1S)-3-methylsulfanyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propyl]azanium Traditional Name: [(1S)-3-(methylthio)-1-[3-(2-pyridylmethyl)-1,2,4-oxadiazol-5-yl]propyl]ammonium Formula: C12H17N4OS+ MolecularWeight: 265.35458

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC(=NO1)CC2=CC=CC=N2)[NH3+]

Isomeric SMILES

CSCC[C@@H](C1=NC(=NO1)CC2=CC=CC=N2)[NH3+]

InChI

InChI=1S/C12H16N4OS/c1-18-7-5-10(13)12-15-11(16-17-12)8-9-4-2-3-6-14-9/h2-4,6,10H,5,7-8,13H2,1H3/p+1/t10-/m0/s1