4-(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)oxybenzoic acid

Systemtic Name: 4-(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)oxybenzoic acid Openeye Name: 4-(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)oxybenzoic acid CAS Name: 4-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]oxy]benzoic acid IUPAC Name: 4-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)oxybenzoic acid Traditional Name: 4-[2-(methylthio)-6-phenyl-pyrimidin-4-yl]oxybenzoic acid Formula: C18H14N2O3S MolecularWeight: 338.38036

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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)