ethyl 4-[[(2,6-diethylphenyl)carbamothioylamino]methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-[[(2,6-diethylphenyl)carbamothioylamino]methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-[[(2,6-diethylphenyl)carbamothioylamino]methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-[[[(2,6-diethylanilino)-sulfanylidenemethyl]amino]methylidene]-5-oxo-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2,6-diethylphenyl)carbamothioylamino]methylidene]-5-oxo-1-phenylpyrazole-3-carboxylate Traditional Name: 4-[[(2,6-diethylphenyl)thiocarbamoylamino]methylene]-5-keto-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C24H26N4O3S MolecularWeight: 450.55324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC=C2C(=NN(C2=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C24H26N4O3S/c1-4-16-11-10-12-17(5-2)20(16)26-24(32)25-15-19-21(23(30)31-6-3)27-28(22(19)29)18-13-8-7-9-14-18/h7-15H,4-6H2,1-3H3,(H2,25,26,32)