N-(3-ethynylphenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(3-ethynylphenyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(3-ethynylphenyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(3-ethynylphenyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(3-ethynylphenyl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C22H13NO4S MolecularWeight: 387.40792

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C22H13NO4S/c1-2-14-6-5-7-16(12-14)23-22(25)15-10-11-18-20(13-15)28(26,27)19-9-4-3-8-17(19)21(18)24/h1,3-13H,(H,23,25)