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

Systemtic Name: 3-(6-azanyl-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-5-bromanyl-benzenecarbonitrile Openeye Name: 3-(6-amino-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-5-bromo-benzonitrile CAS Name: 3-[(6-amino-2-methylsulfonyl-5-nitro-4-pyrimidinyl)oxy]-5-bromobenzonitrile IUPAC Name: 3-(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)oxy-5-bromobenzonitrile Traditional Name: 3-(6-amino-2-mesyl-5-nitro-pyrimidin-4-yl)oxy-5-bromo-benzonitrile Formula: C12H8BrN5O5S MolecularWeight: 414.19142

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=C(C(=N1)OC2=CC(=CC(=C2)C#N)Br)[N+](=O)[O-])N

Isomeric SMILES

CS(=O)(=O)C1=NC(=C(C(=N1)OC2=CC(=CC(=C2)C#N)Br)[N+](=O)[O-])N

InChI

InChI=1S/C12H8BrN5O5S/c1-24(21,22)12-16-10(15)9(18(19)20)11(17-12)23-8-3-6(5-14)2-7(13)4-8/h2-4H,1H3,(H2,15,16,17)