(2S)-2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one

Systemtic Name: (2S)-2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one Openeye Name: (2S)-2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one CAS Name: (2S)-2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethylphenyl)-1-propanone IUPAC Name: (2S)-2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylphenyl)propan-1-one Traditional Name: (2S)-2-[[5-[(1S)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-(4-ethylphenyl)propan-1-one Formula: C23H27FN4OS MolecularWeight: 426.550083

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(N2C3=CC=C(C=C3)F)C(C)N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(N2C3=CC=C(C=C3)F)[C@H](C)N(C)C

InChI

InChI=1S/C23H27FN4OS/c1-6-17-7-9-18(10-8-17)21(29)16(3)30-23-26-25-22(15(2)27(4)5)28(23)20-13-11-19(24)12-14-20/h7-16H,6H2,1-5H3/t15-,16-/m0/s1