4-[7-(5-methylsulfonylpyridin-2-yl)spiro[3.4]octa-5,7-dien-6-yl]benzenecarbonitrile

Systemtic Name: 4-[7-(5-methylsulfonylpyridin-2-yl)spiro[3.4]octa-5,7-dien-6-yl]benzenecarbonitrile Openeye Name: 4-[7-(5-methylsulfonyl-2-pyridyl)spiro[3.4]octa-5,7-dien-6-yl]benzonitrile CAS Name: 4-[7-(5-methylsulfonyl-2-pyridinyl)-6-spiro[3.4]octa-5,7-dienyl]benzonitrile IUPAC Name: 4-[7-(5-methylsulfonylpyridin-2-yl)spiro[3.4]octa-5,7-dien-6-yl]benzonitrile Traditional Name: 4-[7-(5-mesyl-2-pyridyl)spiro[3.4]octa-5,7-dien-6-yl]benzonitrile Formula: C21H18N2O2S MolecularWeight: 362.44482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O2S/c1-26(24,25)17-7-8-20(23-14-17)19-12-21(9-2-10-21)11-18(19)16-5-3-15(13-22)4-6-16/h3-8,11-12,14H,2,9-10H2,1H3