2,3-dimethoxy-7-(2-pyridin-2-ylethynyl)thioxanthen-9-one

Systemtic Name: 2,3-dimethoxy-7-(2-pyridin-2-ylethynyl)thioxanthen-9-one Openeye Name: 2,3-dimethoxy-7-[2-(2-pyridyl)ethynyl]thioxanthen-9-one CAS Name: 2,3-dimethoxy-7-[2-(2-pyridinyl)ethynyl]-9-thioxanthenone IUPAC Name: 2,3-dimethoxy-7-(2-pyridin-2-ylethynyl)thioxanthen-9-one Traditional Name: 2,3-dimethoxy-7-[2-(2-pyridyl)ethynyl]thioxanthen-9-one Formula: C22H15NO3S MolecularWeight: 373.4244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C#CC4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C#CC4=CC=CC=N4)OC

InChI

InChI=1S/C22H15NO3S/c1-25-18-12-17-21(13-19(18)26-2)27-20-9-7-14(11-16(20)22(17)24)6-8-15-5-3-4-10-23-15/h3-5,7,9-13H,1-2H3