3-bromanyl-5-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-benzenecarbonitrile

Systemtic Name: 3-bromanyl-5-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-benzenecarbonitrile Openeye Name: 3-bromo-5-(6-chloro-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-benzonitrile CAS Name: 3-bromo-5-[[6-chloro-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]benzonitrile IUPAC Name: 3-bromo-5-(6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxybenzonitrile Traditional Name: 3-bromo-5-[6-chloro-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-benzonitrile Formula: C12H6BrClN4O3S MolecularWeight: 401.62304

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])OC2=CC(=CC(=C2)C#N)Br

Isomeric SMILES

CSC1=NC(=C(C(=N1)Cl)[N+](=O)[O-])OC2=CC(=CC(=C2)C#N)Br

InChI

InChI=1S/C12H6BrClN4O3S/c1-22-12-16-10(14)9(18(19)20)11(17-12)21-8-3-6(5-15)2-7(13)4-8/h2-4H,1H3