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

Systemtic Name: 2-methylsulfanyl-5-[5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine Openeye Name: 2-methylsulfanyl-5-[5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine CAS Name: 5-[5-(4-methylsulfonylphenyl)-6-spiro[2.4]hepta-4,6-dienyl]-2-(methylthio)pyridine IUPAC Name: 2-methylsulfanyl-5-[5-(4-methylsulfonylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]pyridine Traditional Name: 5-[5-(4-mesylphenyl)spiro[2.4]hepta-4,6-dien-6-yl]-2-(methylthio)pyridine Formula: C20H19NO2S2 MolecularWeight: 369.50036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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