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

Systemtic Name: (2R)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-phenyl-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-ethanone Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NN=CN3C4=CC=CC=C4

InChI

InChI=1S/C20H20N4OS/c25-19(23-13-7-8-14-23)18(16-9-3-1-4-10-16)26-20-22-21-15-24(20)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2/t18-/m1/s1