[(1R)-1-[5-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-1-[5-[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium Openeye Name: [(1R)-1-[5-[(1R)-2-amino-1-methyl-2-oxo-ethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium CAS Name: [(1R)-1-[5-[[(2R)-1-amino-1-oxopropan-2-yl]thio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethylammonium IUPAC Name: [(1R)-1-[5-[(2R)-1-amino-1-oxopropan-2-yl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethylazanium Traditional Name: [(1R)-1-[5-[[(1R)-2-amino-2-keto-1-methyl-ethyl]thio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium Formula: C15H21FN5OS+ MolecularWeight: 338.423543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=C(C=C2)F)SC(C)C(=O)N)[NH+](C)C

Isomeric SMILES

C[C@H](C1=NN=C(N1C2=CC=C(C=C2)F)S[C@H](C)C(=O)N)[NH+](C)C

InChI

InChI=1S/C15H20FN5OS/c1-9(20(3)4)14-18-19-15(23-10(2)13(17)22)21(14)12-7-5-11(16)6-8-12/h5-10H,1-4H3,(H2,17,22)/p+1/t9-,10-/m1/s1