2-[4-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile

Systemtic Name: 2-[4-[9,10,10-tris(oxidanylidene)thioxanthen-3-yl]carbonylpiperazin-1-yl]pyridine-3-carbonitrile Openeye Name: 2-[4-(9,10,10-trioxothioxanthene-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile CAS Name: 2-[4-[oxo-(9,10,10-trioxo-3-thioxanthenyl)methyl]-1-piperazinyl]-3-pyridinecarbonitrile IUPAC Name: 2-[4-(9,10,10-trioxothioxanthene-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile Traditional Name: 2-[4-(9,10,10-triketothioxanthene-3-carbonyl)piperazino]nicotinonitrile Formula: C24H18N4O4S MolecularWeight: 458.48912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=N2)C#N)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C24H18N4O4S/c25-15-17-4-3-9-26-23(17)27-10-12-28(13-11-27)24(30)16-7-8-19-21(14-16)33(31,32)20-6-2-1-5-18(20)22(19)29/h1-9,14H,10-13H2