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

Systemtic Name: N-(3-methylsulfanylphenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[3-(methylthio)phenyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[3-(methylthio)phenyl]thioxanthene-3-carboxamide Formula: C21H15NO4S2 MolecularWeight: 409.4781

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C21H15NO4S2/c1-27-15-6-4-5-14(12-15)22-21(24)13-9-10-17-19(11-13)28(25,26)18-8-3-2-7-16(18)20(17)23/h2-12H,1H3,(H,22,24)