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

Systemtic Name: 4-chloranyl-3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-benzenecarbonitrile Openeye Name: 4-chloro-3-(6-chloro-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-benzonitrile CAS Name: 4-chloro-3-[[6-chloro-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]benzonitrile IUPAC Name: 4-chloro-3-(6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxybenzonitrile Traditional Name: 4-chloro-3-[6-chloro-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-benzonitrile Formula: C12H6Cl2N4O3S MolecularWeight: 357.17204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H6Cl2N4O3S/c1-22-12-16-10(14)9(18(19)20)11(17-12)21-8-4-6(5-15)2-3-7(8)13/h2-4H,1H3