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

Systemtic Name: methyl (3Z)-3-(phenylcarbamoylhydrazinylidene)-2-pyrimidin-2-ylsulfanyl-butanoate Openeye Name: methyl (3Z)-3-(phenylcarbamoylhydrazono)-2-pyrimidin-2-ylsulfanyl-butanoate CAS Name: (3Z)-3-[[anilino(oxo)methyl]hydrazinylidene]-2-(2-pyrimidinylthio)butanoic acid methyl ester IUPAC Name: methyl (3Z)-3-(phenylcarbamoylhydrazinylidene)-2-pyrimidin-2-ylsulfanylbutanoate Traditional Name: (3Z)-3-(phenylcarbamoylhydrazono)-2-(2-pyrimidylthio)butyric acid methyl ester Formula: C16H17N5O3S MolecularWeight: 359.40288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O3S/c1-11(20-21-15(23)19-12-7-4-3-5-8-12)13(14(22)24-2)25-16-17-9-6-10-18-16/h3-10,13H,1-2H3,(H2,19,21,23)/b20-11-