N-methyl-9,10,10-tris(oxidanylidene)-N-[(1-phenylpyrazol-4-yl)methyl]thioxanthene-3-carboxamide

Systemtic Name: N-methyl-9,10,10-tris(oxidanylidene)-N-[(1-phenylpyrazol-4-yl)methyl]thioxanthene-3-carboxamide Openeye Name: N-methyl-9,10,10-trioxo-N-[(1-phenylpyrazol-4-yl)methyl]thioxanthene-3-carboxamide CAS Name: N-methyl-9,10,10-trioxo-N-[(1-phenyl-4-pyrazolyl)methyl]-3-thioxanthenecarboxamide IUPAC Name: N-methyl-9,10,10-trioxo-N-[(1-phenylpyrazol-4-yl)methyl]thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thioxanthene-3-carboxamide Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C25H19N3O4S/c1-27(15-17-14-26-28(16-17)19-7-3-2-4-8-19)25(30)18-11-12-21-23(13-18)33(31,32)22-10-6-5-9-20(22)24(21)29/h2-14,16H,15H2,1H3