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

Systemtic Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate Openeye Name: [4-[(6-methyl-2-methylsulfanyl-pyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [4-[[6-methyl-2-(methylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [4-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]phenyl] ester Formula: C20H16F3N3O2S MolecularWeight: 419.42015

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O2S/c1-12-11-17(26-19(24-12)29-2)25-15-7-9-16(10-8-15)28-18(27)13-3-5-14(6-4-13)20(21,22)23/h3-11H,1-2H3,(H,24,25,26)