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

Systemtic Name: 2-[4-(4-methylphenyl)phthalazin-1-yl]sulfanylethanoic acid Openeye Name: 2-[4-(p-tolyl)phthalazin-1-yl]sulfanylacetic acid CAS Name: 2-[[4-(4-methylphenyl)-1-phthalazinyl]thio]acetic acid IUPAC Name: 2-[4-(4-methylphenyl)phthalazin-1-yl]sulfanylacetic acid Traditional Name: 2-[[4-(p-tolyl)phthalazin-1-yl]thio]acetic acid Formula: C17H14N2O2S MolecularWeight: 310.37026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=CC=CC=C32)SCC(=O)O

InChI

InChI=1S/C17H14N2O2S/c1-11-6-8-12(9-7-11)16-13-4-2-3-5-14(13)17(19-18-16)22-10-15(20)21/h2-9H,10H2,1H3,(H,20,21)