(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C31H23N3O3S MolecularWeight: 517.59762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6

Isomeric SMILES

CC1=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/C31H23N3O3S/c1-21-15-17-22(18-16-21)30-24(19-33(32-30)23-9-3-2-4-10-23)31(36)37-20-29(35)34-25-11-5-7-13-27(25)38-28-14-8-6-12-26(28)34/h2-19H,20H2,1H3