N-methylsulfonyl-9,10,10-tris(oxidanylidene)-N-(1,3,5-trimethylpyrazol-4-yl)thioxanthene-3-carboxamide

Systemtic Name: N-methylsulfonyl-9,10,10-tris(oxidanylidene)-N-(1,3,5-trimethylpyrazol-4-yl)thioxanthene-3-carboxamide Openeye Name: N-methylsulfonyl-9,10,10-trioxo-N-(1,3,5-trimethylpyrazol-4-yl)thioxanthene-3-carboxamide CAS Name: N-methylsulfonyl-9,10,10-trioxo-N-(1,3,5-trimethyl-4-pyrazolyl)-3-thioxanthenecarboxamide IUPAC Name: N-methylsulfonyl-9,10,10-trioxo-N-(1,3,5-trimethylpyrazol-4-yl)thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-mesyl-N-(1,3,5-trimethylpyrazol-4-yl)thioxanthene-3-carboxamide Formula: C21H19N3O6S2 MolecularWeight: 473.52206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)N(C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1C)C)N(C(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)S(=O)(=O)C

InChI

InChI=1S/C21H19N3O6S2/c1-12-19(13(2)23(3)22-12)24(31(4,27)28)21(26)14-9-10-16-18(11-14)32(29,30)17-8-6-5-7-15(17)20(16)25/h5-11H,1-4H3