(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C26H21N3O3S MolecularWeight: 455.52824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53

InChI

InChI=1S/C26H21N3O3S/c1-17-25(18(2)29(27-17)19-10-4-3-5-11-19)26(31)32-16-24(30)28-20-12-6-8-14-22(20)33-23-15-9-7-13-21(23)28/h3-15H,16H2,1-2H3