5-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-2-carbonitrile

Systemtic Name: 5-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-2-carbonitrile Openeye Name: 5-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-2-carbonitrile CAS Name: 5-[6-(4-methylsulfonylphenyl)-7-spiro[3.4]octa-5,7-dienyl]-2-pyridinecarbonitrile IUPAC Name: 5-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-2-carbonitrile Traditional Name: 5-[6-(4-mesylphenyl)spiro[3.4]octa-5,7-dien-7-yl]picolinonitrile Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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