4-[7-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-6-yl]benzenecarbonitrile

Systemtic Name: 4-[7-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-6-yl]benzenecarbonitrile Openeye Name: 4-[7-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-6-yl]benzonitrile CAS Name: 4-[7-(4-methylsulfonylphenyl)-6-spiro[3.4]octa-5,7-dienyl]benzonitrile IUPAC Name: 4-[7-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-6-yl]benzonitrile Traditional Name: 4-[7-(4-mesylphenyl)spiro[3.4]octa-5,7-dien-6-yl]benzonitrile Formula: C22H19NO2S MolecularWeight: 361.45676

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3(CCC3)C=C2C4=CC=C(C=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3(CCC3)C=C2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H19NO2S/c1-26(24,25)19-9-7-18(8-10-19)21-14-22(11-2-12-22)13-20(21)17-5-3-16(15-23)4-6-17/h3-10,13-14H,2,11-12H2,1H3