9,10,10-tris(oxidanylidene)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-[2-(3-thienylmethylsulfanyl)phenyl]thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[2-(3-thiophenylmethylthio)phenyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-[2-(thiophen-3-ylmethylsulfanyl)phenyl]thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[2-(3-thenylthio)phenyl]thioxanthene-3-carboxamide Formula: C25H17NO4S3 MolecularWeight: 491.60178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=CC=CC=C4SCC5=CSC=C5

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NC4=CC=CC=C4SCC5=CSC=C5

InChI

InChI=1S/C25H17NO4S3/c27-24-18-5-1-4-8-22(18)33(29,30)23-13-17(9-10-19(23)24)25(28)26-20-6-2-3-7-21(20)32-15-16-11-12-31-14-16/h1-14H,15H2,(H,26,28)