2-[(E)-(2-pyrimidin-2-ylsulfanylethanoylhydrazinylidene)methyl]benzoic acid

Systemtic Name: 2-[(E)-(2-pyrimidin-2-ylsulfanylethanoylhydrazinylidene)methyl]benzoic acid Openeye Name: 2-[(E)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazono]methyl]benzoic acid CAS Name: 2-[(E)-[[1-oxo-2-(2-pyrimidinylthio)ethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]benzoic acid Traditional Name: 2-[(E)-[[2-(2-pyrimidylthio)acetyl]hydrazono]methyl]benzoic acid Formula: C14H12N4O3S MolecularWeight: 316.33508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O3S/c19-12(9-22-14-15-6-3-7-16-14)18-17-8-10-4-1-2-5-11(10)13(20)21/h1-8H,9H2,(H,18,19)(H,20,21)/b17-8+