2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dimethylphenyl)ethanone

Systemtic Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dimethylphenyl)ethanone Openeye Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dimethylphenyl)ethanone CAS Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-(2,4-dimethylphenyl)ethanone IUPAC Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,4-dimethylphenyl)ethanone Traditional Name: 2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-(2,4-dimethylphenyl)ethanone Formula: C22H25FN4OS MolecularWeight: 412.523503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C(C)N(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)[C@H](C)N(C)C)C

InChI

InChI=1S/C22H25FN4OS/c1-14-6-11-19(15(2)12-14)20(28)13-29-22-25-24-21(16(3)26(4)5)27(22)18-9-7-17(23)8-10-18/h6-12,16H,13H2,1-5H3/t16-/m0/s1