2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(4-fluorophenyl)-2-pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-fluorophenyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-(4-fluorophenyl)pyrimidin-2-yl]thio]-1-pyrrolidino-ethanone Formula: C16H16FN3OS MolecularWeight: 317.381143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H16FN3OS/c17-13-5-3-12(4-6-13)14-7-8-18-16(19-14)22-11-15(21)20-9-1-2-10-20/h3-8H,1-2,9-11H2