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

Systemtic Name: [(1S)-1-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]azanium Openeye Name: [(1S)-1-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenyl-ethyl]ammonium CAS Name: [(1S)-1-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-2-phenylethyl]ammonium IUPAC Name: [(1S)-1-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-2-phenylethyl]azanium Traditional Name: [(1S)-1-[4-methyl-5-(methylthio)-1,2,4-triazol-3-yl]-2-phenyl-ethyl]ammonium Formula: C12H17N4S+ MolecularWeight: 249.35518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C(CC2=CC=CC=C2)[NH3+]

Isomeric SMILES

CN1C(=NN=C1SC)[C@H](CC2=CC=CC=C2)[NH3+]

InChI

InChI=1S/C12H16N4S/c1-16-11(14-15-12(16)17-2)10(13)8-9-6-4-3-5-7-9/h3-7,10H,8,13H2,1-2H3/p+1/t10-/m0/s1