1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[(3R,5R)-3,5-dimethylpiperidino]-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C(=O)CSC2=NNC(=N2)C3=CC=NC=C3)C

InChI

InChI=1S/C16H21N5OS/c1-11-7-12(2)9-21(8-11)14(22)10-23-16-18-15(19-20-16)13-3-5-17-6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,18,19,20)/t11-,12-/m1/s1