1-methoxy-7-(2-pyridin-2-ylethynyl)thioxanthen-9-one

Systemtic Name: 1-methoxy-7-(2-pyridin-2-ylethynyl)thioxanthen-9-one Openeye Name: 1-methoxy-7-[2-(2-pyridyl)ethynyl]thioxanthen-9-one CAS Name: 1-methoxy-7-[2-(2-pyridinyl)ethynyl]-9-thioxanthenone IUPAC Name: 1-methoxy-7-(2-pyridin-2-ylethynyl)thioxanthen-9-one Traditional Name: 1-methoxy-7-[2-(2-pyridyl)ethynyl]thioxanthen-9-one Formula: C21H13NO2S MolecularWeight: 343.39842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)C#CC4=CC=CC=N4

Isomeric SMILES

COC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)C#CC4=CC=CC=N4

InChI

InChI=1S/C21H13NO2S/c1-24-17-6-4-7-19-20(17)21(23)16-13-14(9-11-18(16)25-19)8-10-15-5-2-3-12-22-15/h2-7,9,11-13H,1H3