N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[2-[(4-ethylphenyl)methyl]-3-pyrazolyl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[2-[(4-ethylphenyl)methyl]pyrazol-3-yl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-[2-(4-ethylbenzyl)pyrazol-3-yl]-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

Isomeric SMILES

CCC1=CC=C(C=C1)CN2C(=CC=N2)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5S4(=O)=O

InChI

InChI=1S/C26H21N3O4S/c1-2-17-7-9-18(10-8-17)16-29-24(13-14-27-29)28-26(31)19-11-12-21-23(15-19)34(32,33)22-6-4-3-5-20(22)25(21)30/h3-15H,2,16H2,1H3,(H,28,31)