ethyl (3Z)-3-(phenylcarbamoylhydrazinylidene)-2-pyrimidin-2-ylsulfanyl-butanoate

Systemtic Name: ethyl (3Z)-3-(phenylcarbamoylhydrazinylidene)-2-pyrimidin-2-ylsulfanyl-butanoate Openeye Name: ethyl (3Z)-3-(phenylcarbamoylhydrazono)-2-pyrimidin-2-ylsulfanyl-butanoate CAS Name: (3Z)-3-[[anilino(oxo)methyl]hydrazinylidene]-2-(2-pyrimidinylthio)butanoic acid ethyl ester IUPAC Name: ethyl (3Z)-3-(phenylcarbamoylhydrazinylidene)-2-pyrimidin-2-ylsulfanylbutanoate Traditional Name: (3Z)-3-(phenylcarbamoylhydrazono)-2-(2-pyrimidylthio)butyric acid ethyl ester Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=NNC(=O)NC1=CC=CC=C1)C)SC2=NC=CC=N2

Isomeric SMILES

CCOC(=O)C(/C(=N\NC(=O)NC1=CC=CC=C1)/C)SC2=NC=CC=N2

InChI

InChI=1S/C17H19N5O3S/c1-3-25-15(23)14(26-17-18-10-7-11-19-17)12(2)21-22-16(24)20-13-8-5-4-6-9-13/h4-11,14H,3H2,1-2H3,(H2,20,22,24)/b21-12-