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

Systemtic Name: ethyl (4E)-4-[[(2,4-dichlorophenyl)carbamothioylamino]methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl (4E)-4-[[(2,4-dichlorophenyl)carbamothioylamino]methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylate CAS Name: (4E)-4-[[[(2,4-dichloroanilino)-sulfanylidenemethyl]amino]methylidene]-5-oxo-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl (4E)-4-[[(2,4-dichlorophenyl)carbamothioylamino]methylidene]-5-oxo-1-phenylpyrazole-3-carboxylate Traditional Name: (4E)-4-[[(2,4-dichlorophenyl)thiocarbamoylamino]methylene]-5-keto-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C20H16Cl2N4O3S MolecularWeight: 463.33704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=CNC(=S)NC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C\1=NN(C(=O)/C1=C/NC(=S)NC2=C(C=C(C=C2)Cl)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H16Cl2N4O3S/c1-2-29-19(28)17-14(18(27)26(25-17)13-6-4-3-5-7-13)11-23-20(30)24-16-9-8-12(21)10-15(16)22/h3-11H,2H2,1H3,(H2,23,24,30)/b14-11+