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

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C30H20ClN3O3S MolecularWeight: 538.0161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

InChI

InChI=1S/C30H20ClN3O3S/c31-21-16-14-20(15-17-21)29-23(18-33(32-29)22-8-2-1-3-9-22)30(36)37-19-28(35)34-24-10-4-6-12-26(24)38-27-13-7-5-11-25(27)34/h1-18H,19H2