5-[5-(4-methylsulfanylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]-2-methylsulfonyl-pyridine

Systemtic Name: 5-[5-(4-methylsulfanylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]-2-methylsulfonyl-pyridine Openeye Name: 5-[5-(4-methylsulfanylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]-2-methylsulfonyl-pyridine CAS Name: 2-methylsulfonyl-5-[5-[4-(methylthio)phenyl]-6-spiro[2.4]hepta-4,6-dienyl]pyridine IUPAC Name: 5-[5-(4-methylsulfanylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]-2-methylsulfonylpyridine Traditional Name: 2-mesyl-5-[5-[4-(methylthio)phenyl]spiro[2.4]hepta-4,6-dien-6-yl]pyridine Formula: C20H19NO2S2 MolecularWeight: 369.50036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO2S2/c1-24-16-6-3-14(4-7-16)17-11-20(9-10-20)12-18(17)15-5-8-19(21-13-15)25(2,22)23/h3-8,11-13H,9-10H2,1-2H3