4-[6-(6-methylsulfonylpyridin-3-yl)spiro[2.4]hepta-4,6-dien-5-yl]benzenecarbonitrile

Systemtic Name: 4-[6-(6-methylsulfonylpyridin-3-yl)spiro[2.4]hepta-4,6-dien-5-yl]benzenecarbonitrile Openeye Name: 4-[6-(6-methylsulfonyl-3-pyridyl)spiro[2.4]hepta-4,6-dien-5-yl]benzonitrile CAS Name: 4-[6-(6-methylsulfonyl-3-pyridinyl)-5-spiro[2.4]hepta-4,6-dienyl]benzonitrile IUPAC Name: 4-[6-(6-methylsulfonylpyridin-3-yl)spiro[2.4]hepta-4,6-dien-5-yl]benzonitrile Traditional Name: 4-[6-(6-mesyl-3-pyridyl)spiro[2.4]hepta-4,6-dien-5-yl]benzonitrile Formula: C20H16N2O2S MolecularWeight: 348.41824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O2S/c1-25(23,24)19-7-6-16(13-22-19)18-11-20(8-9-20)10-17(18)15-4-2-14(12-21)3-5-15/h2-7,10-11,13H,8-9H2,1H3