2-(4-phenylphthalazin-1-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-phenylphthalazin-1-yl)sulfanylethanoic acid Openeye Name: 2-(4-phenylphthalazin-1-yl)sulfanylacetic acid CAS Name: 2-[(4-phenyl-1-phthalazinyl)thio]acetic acid IUPAC Name: 2-(4-phenylphthalazin-1-yl)sulfanylacetic acid Traditional Name: 2-[(4-phenylphthalazin-1-yl)thio]acetic acid Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)O

InChI

InChI=1S/C16H12N2O2S/c19-14(20)10-21-16-13-9-5-4-8-12(13)15(17-18-16)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20)