4-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(4-methylsulfonyl-2-nitro-phenoxy)phenyl]benzonitrile CAS Name: 4-[4-(4-methylsulfonyl-2-nitrophenoxy)phenyl]benzonitrile IUPAC Name: 4-[4-(4-methylsulfonyl-2-nitrophenoxy)phenyl]benzonitrile Traditional Name: 4-[4-(4-mesyl-2-nitro-phenoxy)phenyl]benzonitrile Formula: C20H14N2O5S MolecularWeight: 394.40056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N2O5S/c1-28(25,26)18-10-11-20(19(12-18)22(23)24)27-17-8-6-16(7-9-17)15-4-2-14(13-21)3-5-15/h2-12H,1H3