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

Systemtic Name: [(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanyl-propyl]azanium Openeye Name: [(1S)-3-methylsulfanyl-1-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]propyl]ammonium CAS Name: [(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylthio)propyl]ammonium IUPAC Name: [(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropyl]azanium Traditional Name: [(1S)-3-(methylthio)-1-[3-(o-tolyl)-1,2,4-oxadiazol-5-yl]propyl]ammonium Formula: C13H18N3OS+ MolecularWeight: 264.36652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)C(CCSC)[NH3+]

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)[C@H](CCSC)[NH3+]

InChI

InChI=1S/C13H17N3OS/c1-9-5-3-4-6-10(9)12-15-13(17-16-12)11(14)7-8-18-2/h3-6,11H,7-8,14H2,1-2H3/p+1/t11-/m0/s1