ethyl 5-oxidanylidene-4-[[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]methylidene]-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-4-[[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]methylidene]-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-oxo-4-[[[(2-oxoindol-3-yl)amino]carbamothioylamino]methylene]-1-phenyl-pyrazole-3-carboxylate CAS Name: 5-oxo-4-[[[[(2-oxo-3-indolyl)hydrazo]-sulfanylidenemethyl]amino]methylidene]-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-oxo-4-[[[(2-oxoindol-3-yl)amino]carbamothioylamino]methylidene]-1-phenylpyrazole-3-carboxylate Traditional Name: 5-keto-4-[[[(2-ketoindol-3-yl)amino]thiocarbamoylamino]methylene]-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C22H18N6O4S MolecularWeight: 462.48112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=CNC(=S)NNC2=C3C=CC=CC3=NC2=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C1=CNC(=S)NNC2=C3C=CC=CC3=NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H18N6O4S/c1-2-32-21(31)18-15(20(30)28(27-18)13-8-4-3-5-9-13)12-23-22(33)26-25-17-14-10-6-7-11-16(14)24-19(17)29/h3-12H,2H2,1H3,(H2,23,26,33)(H,24,25,29)