4-(2-phthalazin-1-ylsulfanylethanoylamino)benzoic acid

Systemtic Name: 4-(2-phthalazin-1-ylsulfanylethanoylamino)benzoic acid Openeye Name: 4-[(2-phthalazin-1-ylsulfanylacetyl)amino]benzoic acid CAS Name: 4-[[1-oxo-2-(1-phthalazinylthio)ethyl]amino]benzoic acid IUPAC Name: 4-[(2-phthalazin-1-ylsulfanylacetyl)amino]benzoic acid Traditional Name: 4-[[2-(phthalazin-1-ylthio)acetyl]amino]benzoic acid Formula: C17H13N3O3S MolecularWeight: 339.36842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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