6-[7-(4-methylsulfonylphenyl)spiro[4.4]nona-6,8-dien-8-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[7-(4-methylsulfonylphenyl)spiro[4.4]nona-6,8-dien-8-yl]pyridine-3-carbonitrile Openeye Name: 6-[7-(4-methylsulfonylphenyl)spiro[4.4]nona-6,8-dien-8-yl]pyridine-3-carbonitrile CAS Name: 6-[7-(4-methylsulfonylphenyl)-8-spiro[4.4]nona-6,8-dienyl]-3-pyridinecarbonitrile IUPAC Name: 6-[7-(4-methylsulfonylphenyl)spiro[4.4]nona-6,8-dien-8-yl]pyridine-3-carbonitrile Traditional Name: 6-[7-(4-mesylphenyl)spiro[4.4]nona-6,8-dien-8-yl]nicotinonitrile Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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