2-methylsulfanyl-5-[7-(4-methylsulfonylphenyl)spiro[4.4]nona-6,8-dien-8-yl]pyridine

Systemtic Name: 2-methylsulfanyl-5-[7-(4-methylsulfonylphenyl)spiro[4.4]nona-6,8-dien-8-yl]pyridine Openeye Name: 2-methylsulfanyl-5-[7-(4-methylsulfonylphenyl)spiro[4.4]nona-6,8-dien-8-yl]pyridine CAS Name: 5-[7-(4-methylsulfonylphenyl)-8-spiro[4.4]nona-6,8-dienyl]-2-(methylthio)pyridine IUPAC Name: 2-methylsulfanyl-5-[7-(4-methylsulfonylphenyl)spiro[4.4]nona-6,8-dien-8-yl]pyridine Traditional Name: 5-[7-(4-mesylphenyl)spiro[4.4]nona-6,8-dien-8-yl]-2-(methylthio)pyridine Formula: C22H23NO2S2 MolecularWeight: 397.55352

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=C1)C2=CC3(CCCC3)C=C2C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CSC1=NC=C(C=C1)C2=CC3(CCCC3)C=C2C4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H23NO2S2/c1-26-21-10-7-17(15-23-21)20-14-22(11-3-4-12-22)13-19(20)16-5-8-18(9-6-16)27(2,24)25/h5-10,13-15H,3-4,11-12H2,1-2H3