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

Systemtic Name: 3-(6-chloranyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-nitro-benzenecarbonitrile Openeye Name: 3-(6-chloro-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-nitro-benzonitrile CAS Name: 3-[[6-chloro-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-4-nitrobenzonitrile IUPAC Name: 3-(6-chloro-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-4-nitrobenzonitrile Traditional Name: 3-[6-chloro-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-4-nitro-benzonitrile Formula: C12H6ClN5O5S MolecularWeight: 367.72454

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H6ClN5O5S/c1-24-12-15-10(13)9(18(21)22)11(16-12)23-8-4-6(5-14)2-3-7(8)17(19)20/h2-4H,1H3