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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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