5-bromanyl-2-(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)oxy-benzaldehyde

Systemtic Name: 5-bromanyl-2-(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)oxy-benzaldehyde Openeye Name: 5-bromo-2-(2-methylsulfanyl-6-phenyl-pyrimidin-4-yl)oxy-benzaldehyde CAS Name: 5-bromo-2-[[2-(methylthio)-6-phenyl-4-pyrimidinyl]oxy]benzaldehyde IUPAC Name: 5-bromo-2-(2-methylsulfanyl-6-phenylpyrimidin-4-yl)oxybenzaldehyde Traditional Name: 5-bromo-2-[2-(methylthio)-6-phenyl-pyrimidin-4-yl]oxy-benzaldehyde Formula: C18H13BrN2O2S MolecularWeight: 401.27702

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)OC2=C(C=C(C=C2)Br)C=O)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=CC(=N1)OC2=C(C=C(C=C2)Br)C=O)C3=CC=CC=C3

InChI

InChI=1S/C18H13BrN2O2S/c1-24-18-20-15(12-5-3-2-4-6-12)10-17(21-18)23-16-8-7-14(19)9-13(16)11-22/h2-11H,1H3