(2R)-2-phenyl-1-pyrrolidin-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: (2R)-2-phenyl-1-pyrrolidin-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: (2R)-2-phenyl-1-pyrrolidin-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: (2R)-2-phenyl-1-(1-pyrrolidinyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: (2R)-2-phenyl-1-pyrrolidin-1-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: (2R)-2-phenyl-1-pyrrolidino-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C14H16N4OS MolecularWeight: 288.36804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NC=NN3

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NC=NN3

InChI

InChI=1S/C14H16N4OS/c19-13(18-8-4-5-9-18)12(11-6-2-1-3-7-11)20-14-15-10-16-17-14/h1-3,6-7,10,12H,4-5,8-9H2,(H,15,16,17)/t12-/m1/s1