6-[2-(4-dimethylaminophenyl)ethynyl]-2,3-dimethoxy-thioxanthen-9-one

Systemtic Name: 6-[2-(4-dimethylaminophenyl)ethynyl]-2,3-dimethoxy-thioxanthen-9-one Openeye Name: 6-[2-(4-dimethylaminophenyl)ethynyl]-2,3-dimethoxy-thioxanthen-9-one CAS Name: 6-[2-(4-dimethylaminophenyl)ethynyl]-2,3-dimethoxy-9-thioxanthenone IUPAC Name: 6-[2-(4-dimethylaminophenyl)ethynyl]-2,3-dimethoxythioxanthen-9-one Traditional Name: 6-[2-(4-dimethylaminophenyl)ethynyl]-2,3-dimethoxy-thioxanthen-9-one Formula: C25H21NO3S MolecularWeight: 415.50414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)C4=CC(=C(C=C4S3)OC)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(=O)C4=CC(=C(C=C4S3)OC)OC

InChI

InChI=1S/C25H21NO3S/c1-26(2)18-10-7-16(8-11-18)5-6-17-9-12-19-23(13-17)30-24-15-22(29-4)21(28-3)14-20(24)25(19)27/h7-15H,1-4H3