2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-pyrrolidino-propan-1-one Formula: C18H18F3N3OS MolecularWeight: 381.41523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C18H18F3N3OS/c1-12(16(25)24-9-5-6-10-24)26-17-22-14(13-7-3-2-4-8-13)11-15(23-17)18(19,20)21/h2-4,7-8,11-12H,5-6,9-10H2,1H3