ethyl (4E)-4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate

Systemtic Name: ethyl (4E)-4-[[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]methylidene]-5-oxidanylidene-1-phenyl-pyrazole-3-carboxylate Openeye Name: ethyl (4E)-4-[(4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl)methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylate CAS Name: (4E)-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)methylidene]-5-oxo-1-phenyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl (4E)-4-[(4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)methylidene]-5-oxo-1-phenylpyrazole-3-carboxylate Traditional Name: (4E)-4-[(4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl)methylene]-5-keto-1-phenyl-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C17H14N4O5S MolecularWeight: 386.38186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C1=CN2C(=O)CC(=O)NC2=S)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C\1=NN(C(=O)/C1=C/N2C(=O)CC(=O)NC2=S)C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O5S/c1-2-26-16(25)14-11(9-20-13(23)8-12(22)18-17(20)27)15(24)21(19-14)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,18,22,27)/b11-9+