4-(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)oxybenzoate

Systemtic Name: 4-(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)oxybenzoate Openeye Name: 4-(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)oxybenzoate CAS Name: 4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]oxy]benzoate IUPAC Name: 4-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)oxybenzoate Traditional Name: 4-[2-(methylthio)-6-phenyl-pyrimidin-4-yl]oxybenzoate Formula: C18H13N2O3S- MolecularWeight: 337.37242

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)OC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=CC(=N1)OC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H14N2O3S/c1-24-18-19-15(12-5-3-2-4-6-12)11-16(20-18)23-14-9-7-13(8-10-14)17(21)22/h2-11H,1H3,(H,21,22)/p-1