6-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-carbonitrile Openeye Name: 6-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-carbonitrile CAS Name: 6-[6-(4-methylsulfonylphenyl)-7-spiro[3.4]octa-5,7-dienyl]-3-pyridinecarbonitrile IUPAC Name: 6-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine-3-carbonitrile Traditional Name: 6-[6-(4-mesylphenyl)spiro[3.4]octa-5,7-dien-7-yl]nicotinonitrile 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=NC=C(C=C4)C#N

Isomeric SMILES

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

InChI

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