N-(3-chloranyl-4-methoxy-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C21H14ClNO5S MolecularWeight: 427.85756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)Cl

InChI

InChI=1S/C21H14ClNO5S/c1-28-17-9-7-13(11-16(17)22)23-21(25)12-6-8-15-19(10-12)29(26,27)18-5-3-2-4-14(18)20(15)24/h2-11H,1H3,(H,23,25)