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

Systemtic Name: ethyl (4E)-4-[(ethanethioylamino)methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl (4E)-4-[(ethanethioylamino)methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylate CAS Name: (4E)-5-oxo-1-phenyl-4-[(1-sulfanylideneethylamino)methylidene]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl (4E)-4-[(ethanethioylamino)methylidene]-5-oxo-1-phenylpyrazole-3-carboxylate Traditional Name: (4E)-5-keto-1-phenyl-4-[(thioacetylamino)methylene]-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3S/c1-3-21-15(20)13-12(9-16-10(2)22)14(19)18(17-13)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,16,22)/b12-9+