2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-pyrrolidino-ethanone Formula: C17H15F4N3OS MolecularWeight: 385.379113

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15F4N3OS/c18-12-5-3-11(4-6-12)13-9-14(17(19,20)21)23-16(22-13)26-10-15(25)24-7-1-2-8-24/h3-6,9H,1-2,7-8,10H2