4-[8-(5-methylsulfonylpyridin-2-yl)spiro[4.4]nona-6,8-dien-7-yl]benzenecarbonitrile

Systemtic Name: 4-[8-(5-methylsulfonylpyridin-2-yl)spiro[4.4]nona-6,8-dien-7-yl]benzenecarbonitrile Openeye Name: 4-[8-(5-methylsulfonyl-2-pyridyl)spiro[4.4]nona-6,8-dien-7-yl]benzonitrile CAS Name: 4-[8-(5-methylsulfonyl-2-pyridinyl)-7-spiro[4.4]nona-6,8-dienyl]benzonitrile IUPAC Name: 4-[8-(5-methylsulfonylpyridin-2-yl)spiro[4.4]nona-6,8-dien-7-yl]benzonitrile Traditional Name: 4-[8-(5-mesyl-2-pyridyl)spiro[4.4]nona-6,8-dien-7-yl]benzonitrile Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CN=C(C=C1)C2=CC3(CCCC3)C=C2C4=CC=C(C=C4)C#N

Isomeric SMILES

CS(=O)(=O)C1=CN=C(C=C1)C2=CC3(CCCC3)C=C2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H20N2O2S/c1-27(25,26)18-8-9-21(24-15-18)20-13-22(10-2-3-11-22)12-19(20)17-6-4-16(14-23)5-7-17/h4-9,12-13,15H,2-3,10-11H2,1H3