4-[6-(4-methylsulfonylphenyl)spiro[2.4]hept-5-en-5-yl]benzenecarbonitrile

Systemtic Name: 4-[6-(4-methylsulfonylphenyl)spiro[2.4]hept-5-en-5-yl]benzenecarbonitrile Openeye Name: 4-[6-(4-methylsulfonylphenyl)spiro[2.4]hept-5-en-5-yl]benzonitrile CAS Name: 4-[6-(4-methylsulfonylphenyl)-5-spiro[2.4]hept-5-enyl]benzonitrile IUPAC Name: 4-[6-(4-methylsulfonylphenyl)spiro[2.4]hept-5-en-5-yl]benzonitrile Traditional Name: 4-[6-(4-mesylphenyl)spiro[2.4]hept-5-en-5-yl]benzonitrile Formula: C21H19NO2S MolecularWeight: 349.44606

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(CC3(C2)CC3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(CC3(C2)CC3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H19NO2S/c1-25(23,24)18-8-6-17(7-9-18)20-13-21(10-11-21)12-19(20)16-4-2-15(14-22)3-5-16/h2-9H,10-13H2,1H3