N-(5-methyl-2-pyridin-2-yl-pyrazol-3-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-(5-methyl-2-pyridin-2-yl-pyrazol-3-yl)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[5-methyl-2-(2-pyridyl)pyrazol-3-yl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[5-methyl-2-(2-pyridinyl)-3-pyrazolyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-(5-methyl-2-pyridin-2-ylpyrazol-3-yl)-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[5-methyl-2-(2-pyridyl)pyrazol-3-yl]thioxanthene-3-carboxamide Formula: C23H16N4O4S MolecularWeight: 444.46254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=N5

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CC=N5

InChI

InChI=1S/C23H16N4O4S/c1-14-12-21(27(26-14)20-8-4-5-11-24-20)25-23(29)15-9-10-17-19(13-15)32(30,31)18-7-3-2-6-16(18)22(17)28/h2-13H,1H3,(H,25,29)