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

Systemtic Name: [(1S)-1-[5-[(2S)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-azanium Openeye Name: [(1S)-1-[5-[(1S)-2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium CAS Name: [(1S)-1-[5-[[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]thio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethylammonium IUPAC Name: [(1S)-1-[5-[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethylazanium Traditional Name: [(1S)-1-[5-[[(1S)-2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl]thio]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]-dimethyl-ammonium Formula: C23H28FN4OS+ MolecularWeight: 427.558023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3=CC=C(C=C3)F)C(C)[NH+](C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[C@H](C)SC2=NN=C(N2C3=CC=C(C=C3)F)[C@H](C)[NH+](C)C)C

InChI

InChI=1S/C23H27FN4OS/c1-14-7-8-18(13-15(14)2)21(29)17(4)30-23-26-25-22(16(3)27(5)6)28(23)20-11-9-19(24)10-12-20/h7-13,16-17H,1-6H3/p+1/t16-,17-/m0/s1