3-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanylpropanoic acid Openeye Name: 3-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanylpropanoic acid CAS Name: 3-[[4-(4-chlorophenyl)-1-phthalazinyl]thio]propanoic acid IUPAC Name: 3-[4-(4-chlorophenyl)phthalazin-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-(4-chlorophenyl)phthalazin-1-yl]thio]propionic acid Formula: C17H13ClN2O2S MolecularWeight: 344.81532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN=C2SCCC(=O)O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN=C2SCCC(=O)O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H13ClN2O2S/c18-12-7-5-11(6-8-12)16-13-3-1-2-4-14(13)17(20-19-16)23-10-9-15(21)22/h1-8H,9-10H2,(H,21,22)