(2R)-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one

Systemtic Name: (2R)-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one Openeye Name: (2R)-2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R,6R)-2,6-dimethyl-1-piperidyl]propan-1-one CAS Name: (2R)-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-1-propanone IUPAC Name: (2R)-2-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propan-1-one Traditional Name: (2R)-2-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-1-[(2R,6R)-2,6-dimethylpiperidino]propan-1-one Formula: C21H27ClN4OS MolecularWeight: 418.98328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)C(C)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)[C@@H](C)SC2=NN=C(N2CC=C)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H27ClN4OS/c1-5-13-25-19(17-9-11-18(22)12-10-17)23-24-21(25)28-16(4)20(27)26-14(2)7-6-8-15(26)3/h5,9-12,14-16H,1,6-8,13H2,2-4H3/t14-,15-,16-/m1/s1