[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C25H18F3N3O2S MolecularWeight: 481.48953

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4

InChI

InChI=1S/C25H18F3N3O2S/c1-34-24-30-21(16-6-3-2-4-7-16)15-22(31-24)29-19-8-5-9-20(14-19)33-23(32)17-10-12-18(13-11-17)25(26,27)28/h2-15H,1H3,(H,29,30,31)