5-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-2-methylsulfonyl-pyridine

Systemtic Name: 5-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-2-methylsulfonyl-pyridine Openeye Name: 5-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-2-methylsulfonyl-pyridine CAS Name: 2-methylsulfonyl-5-[6-[4-(methylthio)phenyl]-7-spiro[3.4]octa-5,7-dienyl]pyridine IUPAC Name: 5-[6-(4-methylsulfanylphenyl)spiro[3.4]octa-5,7-dien-7-yl]-2-methylsulfonylpyridine Traditional Name: 2-mesyl-5-[6-[4-(methylthio)phenyl]spiro[3.4]octa-5,7-dien-7-yl]pyridine Formula: C21H21NO2S2 MolecularWeight: 383.52694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC3(CCC3)C=C2C4=CN=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC3(CCC3)C=C2C4=CN=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C21H21NO2S2/c1-25-17-7-4-15(5-8-17)18-12-21(10-3-11-21)13-19(18)16-6-9-20(22-14-16)26(2,23)24/h4-9,12-14H,3,10-11H2,1-2H3