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

Systemtic Name: ethyl 4-[(acetamidocarbamothioylamino)methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-[(acetamidocarbamothioylamino)methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylate CAS Name: 4-[[[(acetylhydrazo)-sulfanylidenemethyl]amino]methylidene]-5-oxo-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(acetamidocarbamothioylamino)methylidene]-5-oxo-1-phenylpyrazole-3-carboxylate Traditional Name: 4-[(acetamidothiocarbamoylamino)methylene]-5-keto-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O4S/c1-3-25-15(24)13-12(9-17-16(26)19-18-10(2)22)14(23)21(20-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,18,22)(H2,17,19,26)