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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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