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

Systemtic Name: (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2R)-2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-2-phenyl-1-piperidino-ethanone Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5CC5

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5CC5

InChI

InChI=1S/C21H26N4OS/c26-20(24-13-5-2-6-14-24)18(15-7-3-1-4-8-15)27-21-23-22-19(16-9-10-16)25(21)17-11-12-17/h1,3-4,7-8,16-18H,2,5-6,9-14H2/t18-/m1/s1