methyl 4-[(E)-(2-pyrimidin-2-ylsulfanylethanoylhydrazinylidene)methyl]benzoate

Systemtic Name: methyl 4-[(E)-(2-pyrimidin-2-ylsulfanylethanoylhydrazinylidene)methyl]benzoate Openeye Name: methyl 4-[(E)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazono]methyl]benzoate CAS Name: 4-[(E)-[[1-oxo-2-(2-pyrimidinylthio)ethyl]hydrazinylidene]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]benzoate Traditional Name: 4-[(E)-[[2-(2-pyrimidylthio)acetyl]hydrazono]methyl]benzoic acid methyl ester Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NNC(=O)CSC2=NC=CC=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C15H14N4O3S/c1-22-14(21)12-5-3-11(4-6-12)9-18-19-13(20)10-23-15-16-7-2-8-17-15/h2-9H,10H2,1H3,(H,19,20)/b18-9+