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

Systemtic Name: ethyl (4E)-5-oxidanylidene-1-phenyl-4-[(phenylcarbamothioylamino)methylidene]pyrazole-3-carboxylate Openeye Name: ethyl (4E)-5-oxo-1-phenyl-4-[(phenylcarbamothioylamino)methylene]pyrazole-3-carboxylate CAS Name: (4E)-4-[[[anilino(sulfanylidene)methyl]amino]methylidene]-5-oxo-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl (4E)-5-oxo-1-phenyl-4-[(phenylcarbamothioylamino)methylidene]pyrazole-3-carboxylate Traditional Name: (4E)-5-keto-1-phenyl-4-[(phenylthiocarbamoylamino)methylene]-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O3S/c1-2-27-19(26)17-16(13-21-20(28)22-14-9-5-3-6-10-14)18(25)24(23-17)15-11-7-4-8-12-15/h3-13H,2H2,1H3,(H2,21,22,28)/b16-13+