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

Systemtic Name: 2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone Openeye Name: 2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone CAS Name: 2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]ethanone IUPAC Name: 2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone Traditional Name: 2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-[(3R,5R)-3,5-dimethylpiperidino]ethanone Formula: C21H30FN5OS MolecularWeight: 419.559203

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C(C)N(C)C)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)[C@@H](C)N(C)C)C

InChI

InChI=1S/C21H30FN5OS/c1-14-10-15(2)12-26(11-14)19(28)13-29-21-24-23-20(16(3)25(4)5)27(21)18-8-6-17(22)7-9-18/h6-9,14-16H,10-13H2,1-5H3/t14-,15-,16-/m1/s1