4-[5-methyl-1-phenyl-3-[3,3,3-tris(fluoranyl)propylsulfanyl]pyrazol-4-yl]-N-phenyl-pyrimidin-2-amine

Systemtic Name: 4-[5-methyl-1-phenyl-3-[3,3,3-tris(fluoranyl)propylsulfanyl]pyrazol-4-yl]-N-phenyl-pyrimidin-2-amine Openeye Name: 4-[5-methyl-1-phenyl-3-(3,3,3-trifluoropropylsulfanyl)pyrazol-4-yl]-N-phenyl-pyrimidin-2-amine CAS Name: 4-[5-methyl-1-phenyl-3-(3,3,3-trifluoropropylthio)-4-pyrazolyl]-N-phenyl-2-pyrimidinamine IUPAC Name: 4-[5-methyl-1-phenyl-3-(3,3,3-trifluoropropylsulfanyl)pyrazol-4-yl]-N-phenylpyrimidin-2-amine Traditional Name: [4-[5-methyl-1-phenyl-3-(3,3,3-trifluoropropylthio)pyrazol-4-yl]pyrimidin-2-yl]-phenyl-amine Formula: C23H20F3N5S MolecularWeight: 455.49861

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SCCC(F)(F)F)C3=NC(=NC=C3)NC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SCCC(F)(F)F)C3=NC(=NC=C3)NC4=CC=CC=C4

InChI

InChI=1S/C23H20F3N5S/c1-16-20(19-12-14-27-22(29-19)28-17-8-4-2-5-9-17)21(32-15-13-23(24,25)26)30-31(16)18-10-6-3-7-11-18/h2-12,14H,13,15H2,1H3,(H,27,28,29)