7-[2-(4-aminophenyl)ethynyl]-1-methoxy-thioxanthen-9-one

Systemtic Name: 7-[2-(4-aminophenyl)ethynyl]-1-methoxy-thioxanthen-9-one Openeye Name: 7-[2-(4-aminophenyl)ethynyl]-1-methoxy-thioxanthen-9-one CAS Name: 7-[2-(4-aminophenyl)ethynyl]-1-methoxy-9-thioxanthenone IUPAC Name: 7-[2-(4-aminophenyl)ethynyl]-1-methoxythioxanthen-9-one Traditional Name: 7-[2-(4-aminophenyl)ethynyl]-1-methoxy-thioxanthen-9-one Formula: C22H15NO2S MolecularWeight: 357.425

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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=C(C=C4)N

Isomeric SMILES

COC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)C#CC4=CC=C(C=C4)N

InChI

InChI=1S/C22H15NO2S/c1-25-18-3-2-4-20-21(18)22(24)17-13-15(9-12-19(17)26-20)6-5-14-7-10-16(23)11-8-14/h2-4,7-13H,23H2,1H3