[3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonate

Systemtic Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-oxidanylidene-3H-1,3-benzoxazole-6-sulfonate Openeye Name: [3-[(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)amino]phenyl] 2-oxo-3H-1,3-benzoxazole-6-sulfonate CAS Name: 2-oxo-3H-1,3-benzoxazole-6-sulfonic acid [3-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-methylsulfanyl-6-phenylpyrimidin-4-yl)amino]phenyl] 2-oxo-3H-1,3-benzoxazole-6-sulfonate Traditional Name: 2-keto-3H-1,3-benzoxazole-6-sulfonic acid [3-[[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amino]phenyl] ester Formula: C24H18N4O5S2 MolecularWeight: 506.55352

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)C5=CC=CC=C5

Isomeric SMILES

CSC1=NC(=CC(=N1)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC4=C(C=C3)NC(=O)O4)C5=CC=CC=C5

InChI

InChI=1S/C24H18N4O5S2/c1-34-23-26-20(15-6-3-2-4-7-15)14-22(28-23)25-16-8-5-9-17(12-16)33-35(30,31)18-10-11-19-21(13-18)32-24(29)27-19/h2-14H,1H3,(H,27,29)(H,25,26,28)