(1R,5S)-3-(3-pyrimidin-2-ylsulfanylpropyl)-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane

Systemtic Name: (1R,5S)-3-(3-pyrimidin-2-ylsulfanylpropyl)-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane Openeye Name: (1R,5S)-3-(3-pyrimidin-2-ylsulfanylpropyl)-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane CAS Name: (1R,5S)-3-[3-(2-pyrimidinylthio)propyl]-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane IUPAC Name: (1R,5S)-3-(3-pyrimidin-2-ylsulfanylpropyl)-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane Traditional Name: (1R,5S)-3-[3-(2-pyrimidylthio)propyl]-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane Formula: C19H20F3N3S MolecularWeight: 379.44241

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C1(CN(C2)CCCSC3=NC=CC=N3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1[C@@H]2[C@]1(CN(C2)CCCSC3=NC=CC=N3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H20F3N3S/c20-19(21,22)15-5-3-14(4-6-15)18-11-16(18)12-25(13-18)9-2-10-26-17-23-7-1-8-24-17/h1,3-8,16H,2,9-13H2/t16-,18+/m0/s1