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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSC1=NC(=C(C(=N1)OC2=CC(=C(C=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)23-7-3-2-6(5-13)8(4-7)17(19)20/h2-4H,1H3,(H2,14,15,16)