4-[6-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-5-yl]benzenecarbonitrile

Systemtic Name: 4-[6-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-5-yl]benzenecarbonitrile Openeye Name: 4-[6-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-5-yl]benzonitrile CAS Name: 4-[6-(4-methylsulfonylphenyl)-5-spiro[2.4]hepta-4,6-dienyl]benzonitrile IUPAC Name: 4-[6-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-5-yl]benzonitrile Traditional Name: 4-[6-(4-mesylphenyl)spiro[2.4]hepta-4,6-dien-5-yl]benzonitrile Formula: C21H17NO2S MolecularWeight: 347.43018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO2S/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/h2-9,12-13H,10-11H2,1H3