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

Systemtic Name: (2R)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5=CN=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NN=C(N3C4CC4)C5=CN=CC=C5

InChI

InChI=1S/C22H23N5OS/c28-21(26-13-4-5-14-26)19(16-7-2-1-3-8-16)29-22-25-24-20(27(22)18-10-11-18)17-9-6-12-23-15-17/h1-3,6-9,12,15,18-19H,4-5,10-11,13-14H2/t19-/m1/s1