2-[4-(4-methoxyphenyl)phthalazin-1-yl]sulfanylethanoic acid

Systemtic Name: 2-[4-(4-methoxyphenyl)phthalazin-1-yl]sulfanylethanoic acid Openeye Name: 2-[4-(4-methoxyphenyl)phthalazin-1-yl]sulfanylacetic acid CAS Name: 2-[[4-(4-methoxyphenyl)-1-phthalazinyl]thio]acetic acid IUPAC Name: 2-[4-(4-methoxyphenyl)phthalazin-1-yl]sulfanylacetic acid Traditional Name: 2-[[4-(4-methoxyphenyl)phthalazin-1-yl]thio]acetic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)O

InChI

InChI=1S/C17H14N2O3S/c1-22-12-8-6-11(7-9-12)16-13-4-2-3-5-14(13)17(19-18-16)23-10-15(20)21/h2-9H,10H2,1H3,(H,20,21)