3-(2-phthalazin-1-ylsulfanylethanoylamino)benzoate

Systemtic Name: 3-(2-phthalazin-1-ylsulfanylethanoylamino)benzoate Openeye Name: 3-[(2-phthalazin-1-ylsulfanylacetyl)amino]benzoate CAS Name: 3-[[1-oxo-2-(1-phthalazinylthio)ethyl]amino]benzoate IUPAC Name: 3-[(2-phthalazin-1-ylsulfanylacetyl)amino]benzoate Traditional Name: 3-[[2-(phthalazin-1-ylthio)acetyl]amino]benzoate Formula: C17H12N3O3S- MolecularWeight: 338.36048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C17H13N3O3S/c21-15(19-13-6-3-5-11(8-13)17(22)23)10-24-16-14-7-2-1-4-12(14)9-18-20-16/h1-9H,10H2,(H,19,21)(H,22,23)/p-1