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

Systemtic Name: (2R)-2-phenyl-1-piperidin-1-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: (2R)-2-phenyl-1-(1-piperidyl)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: (2R)-2-phenyl-1-(1-piperidinyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: (2R)-2-phenyl-1-piperidin-1-yl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: (2R)-2-phenyl-1-piperidino-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C20H21N5OS/c26-19(25-13-5-2-6-14-25)17(15-7-3-1-4-8-15)27-20-22-18(23-24-20)16-9-11-21-12-10-16/h1,3-4,7-12,17H,2,5-6,13-14H2,(H,22,23,24)/t17-/m1/s1