6-[5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine-3-carbonitrile Openeye Name: 6-[5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine-3-carbonitrile CAS Name: 6-[5-(4-methylsulfonylphenyl)-6-spiro[2.4]hepta-4,6-dienyl]-3-pyridinecarbonitrile IUPAC Name: 6-[5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine-3-carbonitrile Traditional Name: 6-[5-(4-mesylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]nicotinonitrile Formula: C20H16N2O2S MolecularWeight: 348.41824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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