ethyl 5-oxidanylidene-1-phenyl-4-[(2-sulfanylideneimidazolidin-1-yl)methylidene]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-oxidanylidene-1-phenyl-4-[(2-sulfanylideneimidazolidin-1-yl)methylidene]pyrazole-3-carboxylate Openeye Name: ethyl 5-oxo-1-phenyl-4-[(2-thioxoimidazolidin-1-yl)methylene]pyrazole-3-carboxylate CAS Name: 5-oxo-1-phenyl-4-[(2-sulfanylidene-1-imidazolidinyl)methylidene]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-oxo-1-phenyl-4-[(2-sulfanylideneimidazolidin-1-yl)methylidene]pyrazole-3-carboxylate Traditional Name: 5-keto-1-phenyl-4-[(2-thioxoimidazolidin-1-yl)methylene]-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=CN2CCNC2=S)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C1=CN2CCNC2=S)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O3S/c1-2-23-15(22)13-12(10-19-9-8-17-16(19)24)14(21)20(18-13)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,17,24)