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

Systemtic Name: 3-(6-azanyl-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-nitro-benzenecarbonitrile Openeye Name: 3-(6-amino-2-methylsulfanyl-5-nitro-pyrimidin-4-yl)oxy-4-nitro-benzonitrile CAS Name: 3-[[6-amino-2-(methylthio)-5-nitro-4-pyrimidinyl]oxy]-4-nitrobenzonitrile IUPAC Name: 3-(6-amino-2-methylsulfanyl-5-nitropyrimidin-4-yl)oxy-4-nitrobenzonitrile Traditional Name: 3-[6-amino-2-(methylthio)-5-nitro-pyrimidin-4-yl]oxy-4-nitro-benzonitrile Formula: C12H8N6O5S MolecularWeight: 348.29412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N6O5S/c1-24-12-15-10(14)9(18(21)22)11(16-12)23-8-4-6(5-13)2-3-7(8)17(19)20/h2-4H,1H3,(H2,14,15,16)