4-[(2-phthalazin-1-ylsulfanylethanoylamino)methyl]benzoic acid

Systemtic Name: 4-[(2-phthalazin-1-ylsulfanylethanoylamino)methyl]benzoic acid Openeye Name: 4-[[(2-phthalazin-1-ylsulfanylacetyl)amino]methyl]benzoic acid CAS Name: 4-[[[1-oxo-2-(1-phthalazinylthio)ethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(2-phthalazin-1-ylsulfanylacetyl)amino]methyl]benzoic acid Traditional Name: 4-[[[2-(phthalazin-1-ylthio)acetyl]amino]methyl]benzoic acid Formula: C18H15N3O3S MolecularWeight: 353.395

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SCC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H15N3O3S/c22-16(19-9-12-5-7-13(8-6-12)18(23)24)11-25-17-15-4-2-1-3-14(15)10-20-21-17/h1-8,10H,9,11H2,(H,19,22)(H,23,24)