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

Systemtic Name: 5-[7-(4-methylsulfanylphenyl)spiro[4.4]nona-6,8-dien-8-yl]-2-methylsulfonyl-pyridine Openeye Name: 5-[7-(4-methylsulfanylphenyl)spiro[4.4]nona-6,8-dien-8-yl]-2-methylsulfonyl-pyridine CAS Name: 2-methylsulfonyl-5-[7-[4-(methylthio)phenyl]-8-spiro[4.4]nona-6,8-dienyl]pyridine IUPAC Name: 5-[7-(4-methylsulfanylphenyl)spiro[4.4]nona-6,8-dien-8-yl]-2-methylsulfonylpyridine Traditional Name: 2-mesyl-5-[7-[4-(methylthio)phenyl]spiro[4.4]nona-6,8-dien-8-yl]pyridine Formula: C22H23NO2S2 MolecularWeight: 397.55352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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