4-[2-(4-oxidanidyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: 4-[2-(4-oxidanidyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: 4-[[2-(4-oxido-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4-oxido-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-(4-oxido-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-oxido-6-phenyl-pyrimidin-2-yl)thio]acetyl]amino]benzoate Formula: C19H13N3O4S-2 MolecularWeight: 379.38922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)C(=O)[O-])[O-]

InChI

InChI=1S/C19H15N3O4S/c23-16-10-15(12-4-2-1-3-5-12)21-19(22-16)27-11-17(24)20-14-8-6-13(7-9-14)18(25)26/h1-10H,11H2,(H,20,24)(H,25,26)(H,21,22,23)/p-2