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

Systemtic Name: 4-[(E)-(2-pyrimidin-2-ylsulfanylethanoylhydrazinylidene)methyl]benzoic acid Openeye Name: 4-[(E)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazono]methyl]benzoic acid CAS Name: 4-[(E)-[[1-oxo-2-(2-pyrimidinylthio)ethyl]hydrazinylidene]methyl]benzoic acid IUPAC Name: 4-[(E)-[(2-pyrimidin-2-ylsulfanylacetyl)hydrazinylidene]methyl]benzoic acid Traditional Name: 4-[(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=CN=C(N=C1)SCC(=O)NN=CC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)N/N=C/C2=CC=C(C=C2)C(=O)O

InChI

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