[(1S)-1-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]azanium

Systemtic Name: [(1S)-1-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]azanium Openeye Name: [(1S)-1-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]ammonium CAS Name: [(1S)-1-[4-ethyl-5-(methylthio)-1,2,4-triazol-3-yl]-2-phenylethyl]ammonium IUPAC Name: [(1S)-1-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenylethyl]azanium Traditional Name: [(1S)-1-[4-ethyl-5-(methylthio)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]ammonium Formula: C13H19N4S+ MolecularWeight: 263.38176

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC)C(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CCN1C(=NN=C1SC)[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C13H18N4S/c1-3-17-12(15-16-13(17)18-2)11(14)9-10-7-5-4-6-8-10/h4-8,11H,3,9,14H2,1-2H3/p+1/t11-/m0/s1