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

Systemtic Name: 2-[2-(4-aminophenyl)ethynyl]thioxanthen-9-one Openeye Name: 2-[2-(4-aminophenyl)ethynyl]thioxanthen-9-one CAS Name: 2-[2-(4-aminophenyl)ethynyl]-9-thioxanthenone IUPAC Name: 2-[2-(4-aminophenyl)ethynyl]thioxanthen-9-one Traditional Name: 2-[2-(4-aminophenyl)ethynyl]thioxanthen-9-one Formula: C21H13NOS MolecularWeight: 327.39902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C#CC4=CC=C(C=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C#CC4=CC=C(C=C4)N

InChI

InChI=1S/C21H13NOS/c22-16-10-7-14(8-11-16)5-6-15-9-12-20-18(13-15)21(23)17-3-1-2-4-19(17)24-20/h1-4,7-13H,22H2