3-(4-methylphthalazin-1-yl)sulfanylpropanoic acid

Systemtic Name: 3-(4-methylphthalazin-1-yl)sulfanylpropanoic acid Openeye Name: 3-(4-methylphthalazin-1-yl)sulfanylpropanoic acid CAS Name: 3-[(4-methyl-1-phthalazinyl)thio]propanoic acid IUPAC Name: 3-(4-methylphthalazin-1-yl)sulfanylpropanoic acid Traditional Name: 3-[(4-methylphthalazin-1-yl)thio]propionic acid Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)SCCC(=O)O

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)SCCC(=O)O

InChI

InChI=1S/C12H12N2O2S/c1-8-9-4-2-3-5-10(9)12(14-13-8)17-7-6-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)