N-[(3-fluoranyl-4-methyl-phenyl)methyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C22H16FNO4S MolecularWeight: 409.430143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)F

InChI

InChI=1S/C22H16FNO4S/c1-13-6-7-14(10-18(13)23)12-24-22(26)15-8-9-17-20(11-15)29(27,28)19-5-3-2-4-16(19)21(17)25/h2-11H,12H2,1H3,(H,24,26)