(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 1,3-diphenylpyrazole-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C30H21N3O3S MolecularWeight: 503.57104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6

InChI

InChI=1S/C30H21N3O3S/c34-28(33-24-15-7-9-17-26(24)37-27-18-10-8-16-25(27)33)20-36-30(35)23-19-32(22-13-5-2-6-14-22)31-29(23)21-11-3-1-4-12-21/h1-19H,20H2