[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2,5-bis(chloranyl)benzoate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2,5-bis(chloranyl)benzoate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2,5-dichlorobenzoate CAS Name: 2,5-dichlorobenzoic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2,5-dichlorobenzoate Traditional Name: 2,5-dichlorobenzoic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C24H17Cl2N3O2S MolecularWeight: 482.38168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H17Cl2N3O2S/c1-32-24-28-21(15-6-3-2-4-7-15)14-22(29-24)27-17-8-5-9-18(13-17)31-23(30)19-12-16(25)10-11-20(19)26/h2-14H,1H3,(H,27,28,29)