2-methylsulfanyl-5-[5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine

Systemtic Name: 2-methylsulfanyl-5-[5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine Openeye Name: 2-methylsulfanyl-5-[5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine CAS Name: 5-[5-(4-methylsulfonylphenyl)-6-spiro[2.4]hept-5-enyl]-2-(methylthio)pyridine IUPAC Name: 2-methylsulfanyl-5-[5-(4-methylsulfonylphenyl)spiro[2.4]hept-5-en-6-yl]pyridine Traditional Name: 5-[5-(4-mesylphenyl)spiro[2.4]hept-5-en-6-yl]-2-(methylthio)pyridine Formula: C20H21NO2S2 MolecularWeight: 371.51624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO2S2/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/h3-8,13H,9-12H2,1-2H3