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

Systemtic Name: (2R)-2-phenyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-phenyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-phenyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-phenyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-phenyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C19H19N5OS MolecularWeight: 365.45206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C19H19N5OS/c25-18(24-12-4-5-13-24)16(14-6-2-1-3-7-14)26-19-21-17(22-23-19)15-8-10-20-11-9-15/h1-3,6-11,16H,4-5,12-13H2,(H,21,22,23)/t16-/m1/s1