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

Systemtic Name: 5-methylsulfanyl-2-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine Openeye Name: 5-methylsulfanyl-2-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine CAS Name: 2-[6-(4-methylsulfonylphenyl)-7-spiro[3.4]octa-5,7-dienyl]-5-(methylthio)pyridine IUPAC Name: 5-methylsulfanyl-2-[6-(4-methylsulfonylphenyl)spiro[3.4]octa-5,7-dien-7-yl]pyridine Traditional Name: 2-[6-(4-mesylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-5-(methylthio)pyridine Formula: C21H21NO2S2 MolecularWeight: 383.52694

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CN=C(C=C1)C2=CC3(CCC3)C=C2C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CSC1=CN=C(C=C1)C2=CC3(CCC3)C=C2C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H21NO2S2/c1-25-16-6-9-20(22-14-16)19-13-21(10-3-11-21)12-18(19)15-4-7-17(8-5-15)26(2,23)24/h4-9,12-14H,3,10-11H2,1-2H3