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

Systemtic Name: 3-(6-azanyl-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-4-phenoxy-benzenecarbonitrile Openeye Name: 3-(6-amino-2-methylsulfonyl-5-nitro-pyrimidin-4-yl)oxy-4-phenoxy-benzonitrile CAS Name: 3-[(6-amino-2-methylsulfonyl-5-nitro-4-pyrimidinyl)oxy]-4-phenoxybenzonitrile IUPAC Name: 3-(6-amino-2-methylsulfonyl-5-nitropyrimidin-4-yl)oxy-4-phenoxybenzonitrile Traditional Name: 3-(6-amino-2-mesyl-5-nitro-pyrimidin-4-yl)oxy-4-phenoxy-benzonitrile Formula: C18H13N5O6S MolecularWeight: 427.39072

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC(=C(C(=N1)OC2=C(C=CC(=C2)C#N)OC3=CC=CC=C3)[N+](=O)[O-])N

Isomeric SMILES

CS(=O)(=O)C1=NC(=C(C(=N1)OC2=C(C=CC(=C2)C#N)OC3=CC=CC=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H13N5O6S/c1-30(26,27)18-21-16(20)15(23(24)25)17(22-18)29-14-9-11(10-19)7-8-13(14)28-12-5-3-2-4-6-12/h2-9H,1H3,(H2,20,21,22)