N-(3-iodanyl-4-methyl-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(3-iodanyl-4-methyl-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(3-iodo-4-methyl-phenyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(3-iodo-4-methylphenyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(3-iodo-4-methylphenyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(3-iodo-4-methyl-phenyl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C21H14INO4S MolecularWeight: 503.30963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14INO4S/c1-12-6-8-14(11-17(12)22)23-21(25)13-7-9-16-19(10-13)28(26,27)18-5-3-2-4-15(18)20(16)24/h2-11H,1H3,(H,23,25)