ethyl (4E)-4-[[(2-methoxyphenyl)carbamothioylamino]methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl (4E)-4-[[(2-methoxyphenyl)carbamothioylamino]methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl (4E)-4-[[(2-methoxyphenyl)carbamothioylamino]methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylate CAS Name: (4E)-4-[[[(2-methoxyanilino)-sulfanylidenemethyl]amino]methylidene]-5-oxo-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl (4E)-4-[[(2-methoxyphenyl)carbamothioylamino]methylidene]-5-oxo-1-phenylpyrazole-3-carboxylate Traditional Name: (4E)-5-keto-4-[[(2-methoxyphenyl)thiocarbamoylamino]methylene]-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=CNC(=S)NC2=CC=CC=C2OC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C\1=NN(C(=O)/C1=C/NC(=S)NC2=CC=CC=C2OC)C3=CC=CC=C3

InChI

InChI=1S/C21H20N4O4S/c1-3-29-20(27)18-15(19(26)25(24-18)14-9-5-4-6-10-14)13-22-21(30)23-16-11-7-8-12-17(16)28-2/h4-13H,3H2,1-2H3,(H2,22,23,30)/b15-13+